4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

C21H16ClN3O4S2 — CID 100532371

IUPAC4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)ccc21
InChIInChI=1S/C21H16ClN3O4S2/c1-25-18-10-8-13(12-19(18)30-21(25)27)23-20(26)16-9-7-14(11-17(16)22)24-31(28,29)15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,26)
InChIKeyFQECBHIWZXPDNY-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.31
Rot. Bonds5

About 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100532371) has the molecular formula C21H16ClN3O4S2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID100532371
Molecular FormulaC21H16ClN3O4S2
Molecular Weight473.96 g/mol
Exact Mass473.03
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)ccc21
InChIInChI=1S/C21H16ClN3O4S2/c1-25-18-10-8-13(12-19(18)30-21(25)27)23-20(26)16-9-7-14(11-17(16)22)24-31(28,29)15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,26)
InChIKeyFQECBHIWZXPDNY-UHFFFAOYSA-N
XLogP4.31
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide 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

4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 100533914
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
2-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 100530060
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
2-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 100530071
2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100533533

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 100532371) is 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is Cn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)ccc21.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is FQECBHIWZXPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4S2/c1-25-18-10-8-13(12-19(18)30-21(25)27)23-20(26)16-9-7-14(11-17(16)22)24-31(28,29)15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,26).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 473.96 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100532371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).