N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide

C21H16ClN3O4S2 — CID 46325517

IUPACN-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-10-7-14(22)11-19(17)31(27,28)25-15-8-9-16-18(12-15)30-21(23-16)24-20(26)13-5-3-2-4-6-13/h2-12,25H,1H3,(H,23,24,26)
InChIKeyUUPVUEQVNDAHDQ-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.01
Rot. Bonds6

About N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide

N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46325517) has the molecular formula C21H16ClN3O4S2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID46325517
Molecular FormulaC21H16ClN3O4S2
Molecular Weight473.96 g/mol
Exact Mass473.03
IUPAC NameN-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-10-7-14(22)11-19(17)31(27,28)25-15-8-9-16-18(12-15)30-21(23-16)24-20(26)13-5-3-2-4-6-13/h2-12,25H,1H3,(H,23,24,26)
InChIKeyUUPVUEQVNDAHDQ-UHFFFAOYSA-N
XLogP5.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-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

N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
methyl 5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate
CID 28560561
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 35993548
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide (CID 46325517) is N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is UUPVUEQVNDAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4S2/c1-29-17-10-7-14(22)11-19(17)31(27,28)25-15-8-9-16-18(12-15)30-21(23-16)24-20(26)13-5-3-2-4-6-13/h2-12,25H,1H3,(H,23,24,26).
What are the key properties of N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46325517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).