4-amino-3-(cyclopentylmethylamino)benzenesulfonamide

C12H19N3O2S — CID 82907537

IUPAC4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCC1CCCC1
InChIInChI=1S/C12H19N3O2S/c13-11-6-5-10(18(14,16)17)7-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,13H2,(H2,14,16,17)
InChIKeyNZLBTZAGYDCBQY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.52
Rot. Bonds4

About 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide

4-amino-3-(cyclopentylmethylamino)benzenesulfonamide (PubChem CID 82907537) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
PubChem CID82907537
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCC1CCCC1
InChIInChI=1S/C12H19N3O2S/c13-11-6-5-10(18(14,16)17)7-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,13H2,(H2,14,16,17)
InChIKeyNZLBTZAGYDCBQY-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 82899863
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
3-nitro-4-(thian-4-ylmethylamino)benzenesulfonamide
CID 67227080
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107294980
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide (CID 82907537) is 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCC1CCCC1.
What is the InChIKey of 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
The InChIKey is NZLBTZAGYDCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-11-6-5-10(18(14,16)17)7-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,13H2,(H2,14,16,17).
What are the key properties of 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide?
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopentylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82907537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).