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

C17H14ClNO3S — CID 67282863

IUPAC4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccco2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3S/c1-12-4-5-13(17-3-2-10-22-17)11-16(12)19-23(20,21)15-8-6-14(18)7-9-15/h2-11,19H,1H3
InChIKeyTXJAJFLFTCTAMY-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.71
Rot. Bonds4

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

4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 67282863) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID67282863
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccco2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3S/c1-12-4-5-13(17-3-2-10-22-17)11-16(12)19-23(20,21)15-8-6-14(18)7-9-15/h2-11,19H,1H3
InChIKeyTXJAJFLFTCTAMY-UHFFFAOYSA-N
XLogP4.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
5-(furan-2-yl)-N,2-dimethylaniline
CID 68654005
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide
CID 1364400
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
CID 46831774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide (CID 67282863) is 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide is Cc1ccc(-c2ccco2)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is TXJAJFLFTCTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-12-4-5-13(17-3-2-10-22-17)11-16(12)19-23(20,21)15-8-6-14(18)7-9-15/h2-11,19H,1H3.
What are the key properties of 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide?
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 347.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 67282863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).