2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

C22H22ClNO4S — CID 42841749

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H22ClNO4S/c1-16-8-4-5-9-17(16)15-24(18-12-19(27-2)14-20(13-18)28-3)29(25,26)22-11-7-6-10-21(22)23/h4-14H,15H2,1-3H3
InChIKeyASHRZFUTSGIXLN-UHFFFAOYSA-N
MW431.94 g/mol
LogP5.06
Rot. Bonds7

About 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 42841749) has the molecular formula C22H22ClNO4S and a molecular weight of 431.94 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID42841749
Molecular FormulaC22H22ClNO4S
Molecular Weight431.94 g/mol
Exact Mass431.10
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H22ClNO4S/c1-16-8-4-5-9-17(16)15-24(18-12-19(27-2)14-20(13-18)28-3)29(25,26)22-11-7-6-10-21(22)23/h4-14H,15H2,1-3H3
InChIKeyASHRZFUTSGIXLN-UHFFFAOYSA-N
XLogP5.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.94
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
N-[(2-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 166067938
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46022962
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
N-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022402
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46022691
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 42841749) is 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is COc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is ASHRZFUTSGIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4S/c1-16-8-4-5-9-17(16)15-24(18-12-19(27-2)14-20(13-18)28-3)29(25,26)22-11-7-6-10-21(22)23/h4-14H,15H2,1-3H3.
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 431.94 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).