N-benzhydryl-4-butan-2-ylbenzenesulfonamide

C23H25NO2S — CID 19681704

IUPACN-benzhydryl-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-3-18(2)19-14-16-22(17-15-19)27(25,26)24-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,23-24H,3H2,1-2H3
InChIKeyKASFZFKYOYOVKV-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.27
Rot. Bonds7

About N-benzhydryl-4-butan-2-ylbenzenesulfonamide

N-benzhydryl-4-butan-2-ylbenzenesulfonamide (PubChem CID 19681704) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-benzhydryl-4-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-butan-2-ylbenzenesulfonamide
PubChem CID19681704
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-benzhydryl-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-3-18(2)19-14-16-22(17-15-19)27(25,26)24-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,23-24H,3H2,1-2H3
InChIKeyKASFZFKYOYOVKV-UHFFFAOYSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-butan-2-ylbenzenesulfonamide (CID 19681704) is N-benzhydryl-4-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-butan-2-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-butan-2-ylbenzenesulfonamide?
The InChIKey is KASFZFKYOYOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-3-18(2)19-14-16-22(17-15-19)27(25,26)24-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,23-24H,3H2,1-2H3.
What are the key properties of N-benzhydryl-4-butan-2-ylbenzenesulfonamide?
N-benzhydryl-4-butan-2-ylbenzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19681704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).