4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide

C11H11ClN2O2S2 — CID 61299183

IUPAC4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-4-2-1-3-8(10)6-14-18(15,16)11-5-9(13)7-17-11/h1-5,7,14H,6,13H2
InChIKeyHPCNNQCXCLYQIR-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.46
Rot. Bonds4

About 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide

4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 61299183) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID61299183
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-4-2-1-3-8(10)6-14-18(15,16)11-5-9(13)7-17-11/h1-5,7,14H,6,13H2
InChIKeyHPCNNQCXCLYQIR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 114698293
N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 46396342
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
CID 61300772
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide (CID 61299183) is 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is HPCNNQCXCLYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-10-4-2-1-3-8(10)6-14-18(15,16)11-5-9(13)7-17-11/h1-5,7,14H,6,13H2.
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide?
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61299183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).