N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide

C20H26ClNO2S — CID 124567549

IUPACN-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide
SMILESCC[C@@H](C)N(CC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO2S/c1-4-17(3)22(15-14-16(2)18-8-6-5-7-9-18)25(23,24)20-12-10-19(21)11-13-20/h5-13,16-17H,4,14-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyPHFJYSFIMQIQJS-IAGOWNOFSA-N
MW379.95 g/mol
LogP5.32
Rot. Bonds8

About N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide

N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide (PubChem CID 124567549) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide
PubChem CID124567549
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC NameN-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide
SMILESCC[C@@H](C)N(CC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO2S/c1-4-17(3)22(15-14-16(2)18-8-6-5-7-9-18)25(23,24)20-12-10-19(21)11-13-20/h5-13,16-17H,4,14-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyPHFJYSFIMQIQJS-IAGOWNOFSA-N
XLogP5.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.95
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 67367150
N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 112516561
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569
2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 60828470
4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-(3-methylbutyl)benzenesulfonamide
CID 67368466
3-[[(4-chlorophenyl)sulfonyl-[(1S)-1-phenylpropyl]amino]methyl]benzoic acid
CID 67117598
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide (CID 124567549) is N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide is CC[C@@H](C)N(CC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide?
The InChIKey is PHFJYSFIMQIQJS-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H26ClNO2S/c1-4-17(3)22(15-14-16(2)18-8-6-5-7-9-18)25(23,24)20-12-10-19(21)11-13-20/h5-13,16-17H,4,14-15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide?
N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide has a molecular weight of 379.95 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 124567549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).