N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide

C19H13Cl2N3O4S2 — CID 17308266

IUPACN-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
SMILESO=S1(=O)N=C(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21
InChIInChI=1S/C19H13Cl2N3O4S2/c20-16-10-7-13(11-17(16)21)23-29(25,26)14-8-5-12(6-9-14)22-19-15-3-1-2-4-18(15)30(27,28)24-19/h1-11,23H,(H,22,24)
InChIKeyBSFFKPCYDLOUBW-UHFFFAOYSA-N
MW482.37 g/mol
LogP4.36
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide

N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide (PubChem CID 17308266) has the molecular formula C19H13Cl2N3O4S2 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
PubChem CID17308266
Molecular FormulaC19H13Cl2N3O4S2
Molecular Weight482.37 g/mol
Exact Mass480.97
IUPAC NameN-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
SMILESO=S1(=O)N=C(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21
InChIInChI=1S/C19H13Cl2N3O4S2/c20-16-10-7-13(11-17(16)21)23-29(25,26)14-8-5-12(6-9-14)22-19-15-3-1-2-4-18(15)30(27,28)24-19/h1-11,23H,(H,22,24)
InChIKeyBSFFKPCYDLOUBW-UHFFFAOYSA-N
XLogP4.36
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
CID 21230099
N-(3-chloro-4-methylphenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide
CID 17308464
N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 691376
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propan-2-ylbenzamide
CID 18107944
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine
CID 1194613
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
CID 42916226
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide (CID 17308266) is N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide is O=S1(=O)N=C(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
The InChIKey is BSFFKPCYDLOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4S2/c20-16-10-7-13(11-17(16)21)23-29(25,26)14-8-5-12(6-9-14)22-19-15-3-1-2-4-18(15)30(27,28)24-19/h1-11,23H,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide?
N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide has a molecular weight of 482.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 17308266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).