5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide

C19H21ClN2O4S — CID 25222733

IUPAC5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)/t16-,17-/m0/s1
InChIKeyHWESNYSSTJZULU-IRXDYDNUSA-N
MW408.91 g/mol
LogP2.92
Rot. Bonds5

About 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide

5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide (PubChem CID 25222733) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
PubChem CID25222733
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)/t16-,17-/m0/s1
InChIKeyHWESNYSSTJZULU-IRXDYDNUSA-N
XLogP2.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
CID 68582999
N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
CID 68582335
N-[(3R)-3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]-2-methoxy-5-methylbenzamide
CID 143783759
5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582257
5-chloro-N-[(1S,3S)-2,2-dimethyl-3-[4-(methylsulfamoyl)phenyl]cyclopropyl]-2,4-dimethoxybenzamide
CID 68581962
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582129
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
4-[(3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129203726
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide (CID 25222733) is 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide?
The InChIKey is HWESNYSSTJZULU-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)22-18(23)14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)(H2,21,24,25)/t16-,17-/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide?
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide has a molecular weight of 408.91 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide is sourced from PubChem (CID 25222733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).