N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

C16H16ClNO2S — CID 24755429

IUPACN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-13-4-10-16(11-5-13)21(19,20)18-12-2-3-14-6-8-15(17)9-7-14/h2-11,18H,12H2,1H3/b3-2+
InChIKeyMULDJGZJDHSHGH-NSCUHMNNSA-N
MW321.83 g/mol
LogP3.64
Rot. Bonds5

About N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 24755429) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID24755429
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-13-4-10-16(11-5-13)21(19,20)18-12-2-3-14-6-8-15(17)9-7-14/h2-11,18H,12H2,1H3/b3-2+
InChIKeyMULDJGZJDHSHGH-NSCUHMNNSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
N-[(E)-3-(4,5-dimethylcyclohexa-1,4-dien-1-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 11573278
tert-butyl N-[2-[[4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzoyl]amino]phenyl]carbamate
CID 86602774
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate
CID 91941577
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (CID 24755429) is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is MULDJGZJDHSHGH-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-13-4-10-16(11-5-13)21(19,20)18-12-2-3-14-6-8-15(17)9-7-14/h2-11,18H,12H2,1H3/b3-2+.
What are the key properties of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24755429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).