3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide

C20H17ClN2O4S — CID 99949135

IUPAC3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-28(25,26)23-17-12-11-14(13-16(17)21)20(24)22-18-9-5-6-10-19(18)27-15-7-3-2-4-8-15/h2-13,23H,1H3,(H,22,24)
InChIKeyYKYUTNWHULYKLW-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.76
Rot. Bonds6

About 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide

3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide (PubChem CID 99949135) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
PubChem CID99949135
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-28(25,26)23-17-12-11-14(13-16(17)21)20(24)22-18-9-5-6-10-19(18)27-15-7-3-2-4-8-15/h2-13,23H,1H3,(H,22,24)
InChIKeyYKYUTNWHULYKLW-UHFFFAOYSA-N
XLogP4.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide (CID 99949135) is 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide?
The InChIKey is YKYUTNWHULYKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-28(25,26)23-17-12-11-14(13-16(17)21)20(24)22-18-9-5-6-10-19(18)27-15-7-3-2-4-8-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide?
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide has a molecular weight of 416.89 g/mol, XLogP of 4.76, 6 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-phenoxyphenyl)benzamide is sourced from PubChem (CID 99949135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).