N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide

C22H19ClN4O6S3 — CID 71586338

IUPACN-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)c(=O)sn3C)cc1
InChIInChI=1S/C22H19ClN4O6S3/c1-13(28)24-15-4-6-16(7-5-15)35(30,31)25-19-9-3-14(23)11-20(19)26-36(32,33)17-8-10-21-18(12-17)22(29)34-27(21)2/h3-12,25-26H,1-2H3,(H,24,28)
InChIKeyHMPXHTWKYUPCKC-UHFFFAOYSA-N
MW567.07 g/mol
LogP3.81
Rot. Bonds7

About N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 71586338) has the molecular formula C22H19ClN4O6S3 and a molecular weight of 567.07 g/mol. Its IUPAC name is N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID71586338
Molecular FormulaC22H19ClN4O6S3
Molecular Weight567.07 g/mol
Exact Mass566.02
IUPAC NameN-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)c(=O)sn3C)cc1
InChIInChI=1S/C22H19ClN4O6S3/c1-13(28)24-15-4-6-16(7-5-15)35(30,31)25-19-9-3-14(23)11-20(19)26-36(32,33)17-8-10-21-18(12-17)22(29)34-27(21)2/h3-12,25-26H,1-2H3,(H,24,28)
InChIKeyHMPXHTWKYUPCKC-UHFFFAOYSA-N
XLogP3.81
TPSA143.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.07
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide 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

N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71586136
N-[5-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71586137
N-[5-chloro-2-[[(2-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]amino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 123958646
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
CID 86870275
4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
CID 177311375
N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
CID 177445891

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide (CID 71586338) is N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)c(=O)sn3C)cc1.
What is the InChIKey of N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is HMPXHTWKYUPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O6S3/c1-13(28)24-15-4-6-16(7-5-15)35(30,31)25-19-9-3-14(23)11-20(19)26-36(32,33)17-8-10-21-18(12-17)22(29)34-27(21)2/h3-12,25-26H,1-2H3,(H,24,28).
What are the key properties of N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 567.07 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71586338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).