N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide

C11H7ClN2O3S2 — CID 106272309

IUPACN-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C11H7ClN2O3S2/c12-9-5-7(1-3-10(9)15)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H
InChIKeyKMPHCKIRICMFPJ-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.78
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide

N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106272309) has the molecular formula C11H7ClN2O3S2 and a molecular weight of 314.78 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106272309
Molecular FormulaC11H7ClN2O3S2
Molecular Weight314.78 g/mol
Exact Mass313.96
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C11H7ClN2O3S2/c12-9-5-7(1-3-10(9)15)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H
InChIKeyKMPHCKIRICMFPJ-UHFFFAOYSA-N
XLogP2.78
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272334
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
methyl 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoate
CID 106273151
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide (CID 106272309) is N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is KMPHCKIRICMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S2/c12-9-5-7(1-3-10(9)15)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H.
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide?
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 314.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).