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

C9H10N2O3S — CID 43502071

IUPAC3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)15(13,14)11-4-5-12/h1-3,6,11-12H,4-5H2
InChIKeyFICJKIIQQSCXFT-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.17
Rot. Bonds4

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

3-cyano-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43502071) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43502071
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)15(13,14)11-4-5-12/h1-3,6,11-12H,4-5H2
InChIKeyFICJKIIQQSCXFT-UHFFFAOYSA-N
XLogP-0.17
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114749959
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 8815523

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide (CID 43502071) is 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCCO)c1.
What is the InChIKey of 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FICJKIIQQSCXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)15(13,14)11-4-5-12/h1-3,6,11-12H,4-5H2.
What are the key properties of 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 226.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43502071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).