4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide

C18H13ClN2O2S2 — CID 67283464

IUPAC4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C18H13ClN2O2S2/c1-12-8-13(18-7-4-16(11-20)24-18)10-15(9-12)21-25(22,23)17-5-2-14(19)3-6-17/h2-10,21H,1H3
InChIKeyBQUKQJSHQARHGY-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.05
Rot. Bonds4

About 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide

4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide (PubChem CID 67283464) has the molecular formula C18H13ClN2O2S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide
PubChem CID67283464
Molecular FormulaC18H13ClN2O2S2
Molecular Weight388.90 g/mol
Exact Mass388.01
IUPAC Name4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C18H13ClN2O2S2/c1-12-8-13(18-7-4-16(11-20)24-18)10-15(9-12)21-25(22,23)17-5-2-14(19)3-6-17/h2-10,21H,1H3
InChIKeyBQUKQJSHQARHGY-UHFFFAOYSA-N
XLogP5.05
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
CID 107575174
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
CID 67299025
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[3-(2-cyano-4-pyridinyl)-5-methylphenyl]-4-methoxybenzenesulfonamide
CID 46831488
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide (CID 67283464) is 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(-c2ccc(C#N)s2)c1.
What is the InChIKey of 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide?
The InChIKey is BQUKQJSHQARHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S2/c1-12-8-13(18-7-4-16(11-20)24-18)10-15(9-12)21-25(22,23)17-5-2-14(19)3-6-17/h2-10,21H,1H3.
What are the key properties of 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide?
4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide has a molecular weight of 388.90 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 67283464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).