2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide

C11H13N3O2S2 — CID 79466591

IUPAC2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESNc1cc(NCc2cccs2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7,12H2,(H2,13,15,16)
InChIKeyYSEAHAWSPOHEIV-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide

2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide (PubChem CID 79466591) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
PubChem CID79466591
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESNc1cc(NCc2cccs2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H13N3O2S2/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7,12H2,(H2,13,15,16)
InChIKeyYSEAHAWSPOHEIV-UHFFFAOYSA-N
XLogP1.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.59
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

2-amino-4-[(4-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 79466376
2-nitro-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 121334764
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
N-[2-chloro-4-(thiophen-2-ylmethylamino)phenyl]methanesulfonamide
CID 43744756
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
3-chloro-4-nitro-N-(thiophen-2-ylmethyl)aniline
CID 82864236

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide (CID 79466591) is 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide is Nc1cc(NCc2cccs2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The InChIKey is YSEAHAWSPOHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7,12H2,(H2,13,15,16).
What are the key properties of 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 79466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).