2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide

C18H22N2O3S — CID 26950706

IUPAC2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-13(2)14-9-11-15(12-10-14)24(22,23)20(3)17-8-6-5-7-16(17)18(19)21/h5-13H,4H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyLZKFHMCOZLBCFV-CYBMUJFWSA-N
MW346.45 g/mol
LogP3.12
Rot. Bonds6

About 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide

2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide (PubChem CID 26950706) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide
PubChem CID26950706
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-13(2)14-9-11-15(12-10-14)24(22,23)20(3)17-8-6-5-7-16(17)18(19)21/h5-13H,4H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyLZKFHMCOZLBCFV-CYBMUJFWSA-N
XLogP3.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-(4-butan-2-ylphenyl)-4-methylsulfonylbenzamide
CID 67453745
5-butan-2-yl-2-chlorobenzamide
CID 129129656
4-(N-(4-butan-2-ylphenyl)anilino)benzenesulfonic acid
CID 88869436
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
CID 17436993

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide?
The IUPAC name of 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide (CID 26950706) is 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide.
What is the SMILES notation for 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide?
The canonical SMILES for 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide is CC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide?
The InChIKey is LZKFHMCOZLBCFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-13(2)14-9-11-15(12-10-14)24(22,23)20(3)17-8-6-5-7-16(17)18(19)21/h5-13H,4H2,1-3H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide?
2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-methylamino]benzamide is sourced from PubChem (CID 26950706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).