2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide

C13H11Cl2NO2S — CID 2696827

IUPAC2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-16(10-6-3-2-4-7-10)19(17,18)12-9-5-8-11(14)13(12)15/h2-9H,1H3
InChIKeyCBCIMWFPDQDFMB-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.82
Rot. Bonds3

About 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide

2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 2696827) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
PubChem CID2696827
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-16(10-6-3-2-4-7-10)19(17,18)12-9-5-8-11(14)13(12)15/h2-9H,1H3
InChIKeyCBCIMWFPDQDFMB-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668802
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 788793
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728
2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394
1-(4-Fluorophenyl)-4-(2,3,4-trichlorobenzenesulfonyl)piperazine
CID 2279123
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 2489123
N-allyl-4-chloro-N-phenylbenzenesulfonamide
CID 2768894
3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 3868087
2,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 24465010
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100506092
2,5-dichloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 100506147

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide (CID 2696827) is 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is CBCIMWFPDQDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-16(10-6-3-2-4-7-10)19(17,18)12-9-5-8-11(14)13(12)15/h2-9H,1H3.
What are the key properties of 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide?
2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 316.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2696827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).