3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C11H11ClN2O3S — CID 115902881

IUPAC3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-10-5-9(2-1-8(10)6-13)18(16,17)14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,7H2
InChIKeyWBHJFWVXQLUIRZ-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.01
Rot. Bonds4

About 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 115902881) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID115902881
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-10-5-9(2-1-8(10)6-13)18(16,17)14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,7H2
InChIKeyWBHJFWVXQLUIRZ-UHFFFAOYSA-N
XLogP1.01
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 115673536
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902827
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 115902881) is 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is WBHJFWVXQLUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-10-5-9(2-1-8(10)6-13)18(16,17)14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,7H2.
What are the key properties of 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 115902881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).