4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide

C12H14N2O3S2 — CID 107212436

IUPAC4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C12H14N2O3S2/c13-11-5-12(18-8-11)19(16,17)14-6-9-2-1-3-10(4-9)7-15/h1-5,8,14-15H,6-7,13H2
InChIKeyDUGGLNMQWPEUFO-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.30
Rot. Bonds5

About 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide

4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 107212436) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID107212436
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C12H14N2O3S2/c13-11-5-12(18-8-11)19(16,17)14-6-9-2-1-3-10(4-9)7-15/h1-5,8,14-15H,6-7,13H2
InChIKeyDUGGLNMQWPEUFO-UHFFFAOYSA-N
XLogP1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-cyanophenyl)methyl]thiophene-2-sulfonamide
CID 61300772
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 107843596
4-amino-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 106165593
4-amino-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 61298806

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 107212436) is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCc2cccc(CO)c2)c1.
What is the InChIKey of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is DUGGLNMQWPEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c13-11-5-12(18-8-11)19(16,17)14-6-9-2-1-3-10(4-9)7-15/h1-5,8,14-15H,6-7,13H2.
What are the key properties of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide?
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 107212436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).