4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide

C11H11ClN2O2S2 — CID 114141245

IUPAC4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O2S2/c12-9-3-1-2-4-10(9)14-18(15,16)11-5-8(6-13)7-17-11/h1-5,7,14H,6,13H2
InChIKeyHPHFOJGAMNRSCU-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.66
Rot. Bonds4

About 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide (PubChem CID 114141245) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
PubChem CID114141245
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O2S2/c12-9-3-1-2-4-10(9)14-18(15,16)11-5-8(6-13)7-17-11/h1-5,7,14H,6,13H2
InChIKeyHPHFOJGAMNRSCU-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 106048429
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide (CID 114141245) is 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide?
The InChIKey is HPHFOJGAMNRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-9-3-1-2-4-10(9)14-18(15,16)11-5-8(6-13)7-17-11/h1-5,7,14H,6,13H2.
What are the key properties of 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114141245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).