4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide

C13H17N3O2S2 — CID 82907089

IUPAC4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
SMILESCc1ccc(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1
InChIInChI=1S/C13H17N3O2S2/c1-8-3-6-13(19-8)9(2)16-12-7-10(20(15,17)18)4-5-11(12)14/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18)
InChIKeySLTQLTSZSQPFJQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.46
Rot. Bonds4

About 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide

4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide (PubChem CID 82907089) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
PubChem CID82907089
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
SMILESCc1ccc(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1
InChIInChI=1S/C13H17N3O2S2/c1-8-3-6-13(19-8)9(2)16-12-7-10(20(15,17)18)4-5-11(12)14/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18)
InChIKeySLTQLTSZSQPFJQ-UHFFFAOYSA-N
XLogP2.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
4-bromo-5-fluoro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 116735659
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 66101858
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
CID 82898469

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide (CID 82907089) is 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide is Cc1ccc(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1.
What is the InChIKey of 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is SLTQLTSZSQPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-8-3-6-13(19-8)9(2)16-12-7-10(20(15,17)18)4-5-11(12)14/h3-7,9,16H,14H2,1-2H3,(H2,15,17,18).
What are the key properties of 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82907089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).