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

C11H12N2O3S — CID 115902827

IUPAC4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C11H12N2O3S/c12-7-9-1-3-10(4-2-9)17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-6,8H2
InChIKeyIUHOBKCATFNIKN-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.36
Rot. Bonds4

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

4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 115902827) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID115902827
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C11H12N2O3S/c12-7-9-1-3-10(4-2-9)17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-6,8H2
InChIKeyIUHOBKCATFNIKN-UHFFFAOYSA-N
XLogP0.36
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902881
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 103916503
6-cyano-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 114614808
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
4-[(4-cyanophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291922
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 115902827) is 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2(CO)CC2)cc1.
What is the InChIKey of 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is IUHOBKCATFNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-7-9-1-3-10(4-2-9)17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-6,8H2.
What are the key properties of 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 115902827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).