3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

C14H15ClN2O4S2 — CID 113094344

IUPAC3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCN(c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H15ClN2O4S2/c1-17(22(2,18)19)13-8-6-12(7-9-13)16-23(20,21)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3
InChIKeyYWKKWCQANLSGON-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (PubChem CID 113094344) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
PubChem CID113094344
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCN(c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H15ClN2O4S2/c1-17(22(2,18)19)13-8-6-12(7-9-13)16-23(20,21)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3
InChIKeyYWKKWCQANLSGON-UHFFFAOYSA-N
XLogP2.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-[4-[butyl(methyl)amino]phenyl]-3-chlorobenzenesulfonamide
CID 112985397
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (CID 113094344) is 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is CN(c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)S(C)(=O)=O.
What is the InChIKey of 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The InChIKey is YWKKWCQANLSGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-17(22(2,18)19)13-8-6-12(7-9-13)16-23(20,21)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3.
What are the key properties of 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 113094344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).