3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide

C15H16ClNO2S — CID 71013468

IUPAC3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-3-12-7-8-14(9-11(12)2)17-20(18,19)15-6-4-5-13(16)10-15/h4-10,17H,3H2,1-2H3
InChIKeyHLIKPJOGKCHUNS-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide

3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide (PubChem CID 71013468) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
PubChem CID71013468
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-3-12-7-8-14(9-11(12)2)17-20(18,19)15-6-4-5-13(16)10-15/h4-10,17H,3H2,1-2H3
InChIKeyHLIKPJOGKCHUNS-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-[4-[butyl(methyl)amino]phenyl]-3-chlorobenzenesulfonamide
CID 112985397
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide (CID 71013468) is 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
The InChIKey is HLIKPJOGKCHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-12-7-8-14(9-11(12)2)17-20(18,19)15-6-4-5-13(16)10-15/h4-10,17H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide?
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 71013468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).