3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

C22H21ClN2O3S2 — CID 99949514

IUPAC3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-15-12-16(14-29-18-6-4-3-5-7-18)8-10-20(15)24-22(26)17-9-11-21(19(23)13-17)25-30(2,27)28/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyOINZHWSMEIUIKG-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.56
Rot. Bonds7

About 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 99949514) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID99949514
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC Name3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-15-12-16(14-29-18-6-4-3-5-7-18)8-10-20(15)24-22(26)17-9-11-21(19(23)13-17)25-30(2,27)28/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyOINZHWSMEIUIKG-UHFFFAOYSA-N
XLogP5.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2981252
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126417075
4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28564551
N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922522
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
2-(2-chloro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2290648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (CID 99949514) is 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is OINZHWSMEIUIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c1-15-12-16(14-29-18-6-4-3-5-7-18)8-10-20(15)24-22(26)17-9-11-21(19(23)13-17)25-30(2,27)28/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 461.01 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 99949514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).