N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide

C18H20ClNO3S — CID 96564832

IUPACN-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
SMILESCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-16(20-18(21)14-8-10-15(19)11-9-14)12-13-24(22,23)17-6-4-3-5-7-17/h3-11,16H,2,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyNMVUTSAZWCLVRG-INIZCTEOSA-N
MW365.88 g/mol
LogP3.71
Rot. Bonds7

About N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide

N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide (PubChem CID 96564832) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
PubChem CID96564832
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
SMILESCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-16(20-18(21)14-8-10-15(19)11-9-14)12-13-24(22,23)17-6-4-3-5-7-17/h3-11,16H,2,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyNMVUTSAZWCLVRG-INIZCTEOSA-N
XLogP3.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
CID 96571573
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 96564834
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
(2S)-2-amino-3-phenyl-N-[(3S)-1-(3-phenylphenyl)sulfonylpentan-3-yl]propanamide
CID 70100440
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 8874156
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
(2S)-2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119366395

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide?
The IUPAC name of N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide (CID 96564832) is N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide is CC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide?
The InChIKey is NMVUTSAZWCLVRG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-2-16(20-18(21)14-8-10-15(19)11-9-14)12-13-24(22,23)17-6-4-3-5-7-17/h3-11,16H,2,12-13H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide?
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide has a molecular weight of 365.88 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide is sourced from PubChem (CID 96564832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).