4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C37H38ClN7O5S4 — CID 159856807

IUPAC4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C24H23ClN4O3S2.C13H15N3O2S2/c25-19-5-8-21-18(16-19)9-13-28(21)14-10-23(30)29-12-1-2-22(29)17-3-6-20(7-4-17)34(31,32)27-24-26-11-15-33-24;17-20(18,16-13-15-8-9-19-13)11-5-3-10(4-6-11)12-2-1-7-14-12/h3-9,11,13,15-16,22H,1-2,10,12,14H2,(H,26,27);3-6,8-9,12,14H,1-2,7H2,(H,15,16)
InChIKeyNQQCAYJGAMFUNJ-UHFFFAOYSA-N
MW824.48 g/mol
LogP7.67
Rot. Bonds11

About 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 159856807) has the molecular formula C37H38ClN7O5S4 and a molecular weight of 824.48 g/mol. Its IUPAC name is 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID159856807
Molecular FormulaC37H38ClN7O5S4
Molecular Weight824.48 g/mol
Exact Mass823.15
IUPAC Name4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C24H23ClN4O3S2.C13H15N3O2S2/c25-19-5-8-21-18(16-19)9-13-28(21)14-10-23(30)29-12-1-2-22(29)17-3-6-20(7-4-17)34(31,32)27-24-26-11-15-33-24;17-20(18,16-13-15-8-9-19-13)11-5-3-10(4-6-11)12-2-1-7-14-12/h3-9,11,13,15-16,22H,1-2,10,12,14H2,(H,26,27);3-6,8-9,12,14H,1-2,7H2,(H,15,16)
InChIKeyNQQCAYJGAMFUNJ-UHFFFAOYSA-N
XLogP7.67
TPSA155.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.48
LogP ≤ 57.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide 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

3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
CID 159909017
3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 126774614
4-[1-[2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-piperidin-4-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 162241839
1-[3-(5-methylindol-1-yl)propanoyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432892
4-[1-[2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 74340298
3-(5-chloroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
CID 58215174
4-[4-[2-(5-cyanoindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466107
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 15951116
2-(5-chloro-2-methylindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544020
4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145959
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160780513

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 159856807) is 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C(CCn1ccc2cc(Cl)ccc21)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(C2CCCN2)cc1.
What is the InChIKey of 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NQQCAYJGAMFUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S2.C13H15N3O2S2/c25-19-5-8-21-18(16-19)9-13-28(21)14-10-23(30)29-12-1-2-22(29)17-3-6-20(7-4-17)34(31,32)27-24-26-11-15-33-24;17-20(18,16-13-15-8-9-19-13)11-5-3-10(4-6-11)12-2-1-7-14-12/h3-9,11,13,15-16,22H,1-2,10,12,14H2,(H,26,27);3-6,8-9,12,14H,1-2,7H2,(H,15,16).
What are the key properties of 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 824.48 g/mol, XLogP of 7.67, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 159856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).