N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C17H20ClNO3S — CID 67368523

IUPACN-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-2-16(13-20)19(12-14-6-4-3-5-7-14)23(21,22)17-10-8-15(18)9-11-17/h3-11,16,20H,2,12-13H2,1H3/t16-/m0/s1
InChIKeyLUKVEMIGNXYVCA-INIZCTEOSA-N
MW353.87 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 67368523) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID67368523
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-2-16(13-20)19(12-14-6-4-3-5-7-14)23(21,22)17-10-8-15(18)9-11-17/h3-11,16,20H,2,12-13H2,1H3/t16-/m0/s1
InChIKeyLUKVEMIGNXYVCA-INIZCTEOSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 67368523) is N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is LUKVEMIGNXYVCA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-2-16(13-20)19(12-14-6-4-3-5-7-14)23(21,22)17-10-8-15(18)9-11-17/h3-11,16,20H,2,12-13H2,1H3/t16-/m0/s1.
What are the key properties of N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67368523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).