N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid

C64H73Cl2N11O15S4 — CID 173165662

IUPACN-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
SMILESCc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O.Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1.NS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)ccc1Cl.NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
InChIInChI=1S/C17H18N2O5S.C16H20ClN3O3S.C16H20N4O3S.C15H15ClN2O4S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13;17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20;1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13;1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23);3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23);4-11H,1-3H3,(H,17,19)(H2,18,20,21);3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)/t;9-,10+,12+,13-;;
InChIKeyYEYNTZDGTRINAQ-BOZOCQEMSA-N
MW1435.52 g/mol
LogP9.13
Rot. Bonds16

About N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid

N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid (PubChem CID 173165662) has the molecular formula C64H73Cl2N11O15S4 and a molecular weight of 1435.52 g/mol. Its IUPAC name is N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid.

Molecular Properties

Compound NameN-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
PubChem CID173165662
Molecular FormulaC64H73Cl2N11O15S4
Molecular Weight1435.52 g/mol
Exact Mass1433.35
IUPAC NameN-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
SMILESCc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O.Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1.NS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)ccc1Cl.NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
InChIInChI=1S/C17H18N2O5S.C16H20ClN3O3S.C16H20N4O3S.C15H15ClN2O4S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13;17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20;1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13;1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23);3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23);4-11H,1-3H3,(H,17,19)(H2,18,20,21);3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)/t;9-,10+,12+,13-;;
InChIKeyYEYNTZDGTRINAQ-BOZOCQEMSA-N
XLogP9.13
TPSA412.11 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001435.52
LogP ≤ 59.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
[[4-(3-methylanilino)-3-pyridinyl]-oxo-(propan-2-ylcarbamoylamino)-λ6-sulfanylidene]oxidanium
CID 163731126
3-(3-methylpyrrolidin-1-yl)-4-phenoxy-5-sulfamoylbenzoic acid
CID 21312217
4-(4-methoxyphenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
CID 21312133
4-(2,4-dimethylphenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
CID 21312223
4-(4-methoxyphenoxy)-3-piperidin-1-yl-5-sulfamoylbenzoic acid
CID 21312206
[(2S)-1-ethoxy-1-oxopropan-2-yl] 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoate
CID 155795908
4-(4-aminophenoxy)-3-piperidin-1-yl-5-sulfamoylbenzoic acid
CID 21312122
4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzenecarbodithioate
CID 143445723
N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 129252573
4-(4-propylphenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
CID 21312218

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid?
The IUPAC name of N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid (CID 173165662) is N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid.
What is the SMILES notation for N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid?
The canonical SMILES for N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid is Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O.Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1.NS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)ccc1Cl.NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1.
What is the InChIKey of N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid?
The InChIKey is YEYNTZDGTRINAQ-BOZOCQEMSA-N. The full InChI is InChI=1S/C17H18N2O5S.C16H20ClN3O3S.C16H20N4O3S.C15H15ClN2O4S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13;17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20;1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13;1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23);3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23);4-11H,1-3H3,(H,17,19)(H2,18,20,21);3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)/t;9-,10+,12+,13-;;.
What are the key properties of N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid?
N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid has a molecular weight of 1435.52 g/mol, XLogP of 9.13, 16 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid is sourced from PubChem (CID 173165662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).