N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide

C13H13ClN2O4S2 — CID 134879213

IUPACN-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-13-9-10(14)7-8-12(13)16-22(19,20)11-5-3-2-4-6-11/h2-9,15-16H,1H3
InChIKeyKXAZHSHMEAHYBO-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.51
Rot. Bonds5

About N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide

N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 134879213) has the molecular formula C13H13ClN2O4S2 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID134879213
Molecular FormulaC13H13ClN2O4S2
Molecular Weight360.84 g/mol
Exact Mass360.00
IUPAC NameN-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-13-9-10(14)7-8-12(13)16-22(19,20)11-5-3-2-4-6-11/h2-9,15-16H,1H3
InChIKeyKXAZHSHMEAHYBO-UHFFFAOYSA-N
XLogP2.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 43069384
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
methyl (E)-3-[2-(benzenesulfonamido)-4-chlorophenyl]prop-2-enoate
CID 11371593
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride
CID 134878806
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide (CID 134879213) is N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is KXAZHSHMEAHYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-13-9-10(14)7-8-12(13)16-22(19,20)11-5-3-2-4-6-11/h2-9,15-16H,1H3.
What are the key properties of N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide?
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 360.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 134879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).