N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide

C16H16N2O3S — CID 3252921

IUPACN-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O3S/c17-12-15-7-4-8-16(11-15)22(20,21)18(9-10-19)13-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2
InChIKeyBYXAGCKCQQTEEZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.74
Rot. Bonds6

About N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide

N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 3252921) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID3252921
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C16H16N2O3S/c17-12-15-7-4-8-16(11-15)22(20,21)18(9-10-19)13-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2
InChIKeyBYXAGCKCQQTEEZ-UHFFFAOYSA-N
XLogP1.74
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
ethyl 2-[benzyl-(3-cyanophenyl)sulfonylamino]acetate
CID 3854313
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793
N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
CID 25466968

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide (CID 3252921) is N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is BYXAGCKCQQTEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-12-15-7-4-8-16(11-15)22(20,21)18(9-10-19)13-14-5-2-1-3-6-14/h1-8,11,19H,9-10,13H2.
What are the key properties of N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 3252921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).