N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide

C15H16N2O5S2 — CID 127038503

IUPACN-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3
InChIKeyAWTJGFNHPQVQCX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.66
Rot. Bonds6

About N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide

N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide (PubChem CID 127038503) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
PubChem CID127038503
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC NameN-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3
InChIKeyAWTJGFNHPQVQCX-UHFFFAOYSA-N
XLogP1.66
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
3-(methanesulfonamido)benzoic acid;2-methylpyridine
CID 174337285
3-[(methylsulfonimidoyl)amino]benzoic acid
CID 164648451
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide (CID 127038503) is N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide?
The InChIKey is AWTJGFNHPQVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3.
What are the key properties of N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide?
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide has a molecular weight of 368.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 127038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).