5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C22H17ClN4O5S3 — CID 43909921

IUPAC5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN4O5S3/c23-20-11-8-16(26-34(29,30)17-4-2-1-3-5-17)14-19(20)21(28)25-15-6-9-18(10-7-15)35(31,32)27-22-24-12-13-33-22/h1-14,26H,(H,24,27)(H,25,28)
InChIKeyJHFCIGRPMALPDU-UHFFFAOYSA-N
MW549.06 g/mol
LogP4.65
Rot. Bonds8

About 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 43909921) has the molecular formula C22H17ClN4O5S3 and a molecular weight of 549.06 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID43909921
Molecular FormulaC22H17ClN4O5S3
Molecular Weight549.06 g/mol
Exact Mass548.00
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN4O5S3/c23-20-11-8-16(26-34(29,30)17-4-2-1-3-5-17)14-19(20)21(28)25-15-6-9-18(10-7-15)35(31,32)27-22-24-12-13-33-22/h1-14,26H,(H,24,27)(H,25,28)
InChIKeyJHFCIGRPMALPDU-UHFFFAOYSA-N
XLogP4.65
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.06
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1220561
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
5-(3,4-dichlorophenyl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 18809223
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 43909921) is 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is JHFCIGRPMALPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O5S3/c23-20-11-8-16(26-34(29,30)17-4-2-1-3-5-17)14-19(20)21(28)25-15-6-9-18(10-7-15)35(31,32)27-22-24-12-13-33-22/h1-14,26H,(H,24,27)(H,25,28).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 549.06 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43909921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).