N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide

C15H13ClN2O2S2 — CID 19683407

IUPACN-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3ccccc3s2)c(C)cc1Cl
InChIInChI=1S/C15H13ClN2O2S2/c1-9-8-14(10(2)7-11(9)16)22(19,20)18-15-17-12-5-3-4-6-13(12)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyQUKYAFMEIGYXQY-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.37
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide

N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 19683407) has the molecular formula C15H13ClN2O2S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID19683407
Molecular FormulaC15H13ClN2O2S2
Molecular Weight352.87 g/mol
Exact Mass352.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3ccccc3s2)c(C)cc1Cl
InChIInChI=1S/C15H13ClN2O2S2/c1-9-8-14(10(2)7-11(9)16)22(19,20)18-15-17-12-5-3-4-6-13(12)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyQUKYAFMEIGYXQY-UHFFFAOYSA-N
XLogP4.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
2,4,5-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 35764710
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455882
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
CID 60986077
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-chloro-4-methylphenyl)urea
CID 46382550
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide (CID 19683407) is N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nc3ccccc3s2)c(C)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is QUKYAFMEIGYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S2/c1-9-8-14(10(2)7-11(9)16)22(19,20)18-15-17-12-5-3-4-6-13(12)21-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 352.87 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).