3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C15H16ClNO3S — CID 3299523

IUPAC3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-10-12-5-3-4-6-15(12)20-2/h3-9,17H,10H2,1-2H3
InChIKeyGCUQPLVBCMVAKJ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.14
Rot. Bonds5

About 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 3299523) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID3299523
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-10-12-5-3-4-6-15(12)20-2/h3-9,17H,10H2,1-2H3
InChIKeyGCUQPLVBCMVAKJ-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 3299523) is 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is GCUQPLVBCMVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-10-12-5-3-4-6-15(12)20-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3299523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).