N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide

C15H16ClNO2S — CID 3596534

IUPACN-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-3-5-15(8-11)20(18,19)17-10-13-9-14(16)7-6-12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyNUEDPRMQIHCGMK-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide

N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3596534) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID3596534
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-3-5-15(8-11)20(18,19)17-10-13-9-14(16)7-6-12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyNUEDPRMQIHCGMK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
CID 142645086
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
4-butoxy-N-[(5-chloro-2-methylphenyl)methyl]benzenesulfonamide
CID 3729940
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide (CID 3596534) is N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is NUEDPRMQIHCGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-4-3-5-15(8-11)20(18,19)17-10-13-9-14(16)7-6-12(13)2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide?
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3596534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).