1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene

C13H23N3O2S — CID 43742023

IUPAC1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
SMILESCCCC(CCC)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C13H23N3O2S/c1-3-6-11(7-4-2)15-12-8-5-9-13(10-12)16-19(14,17)18/h5,8-11,15-16H,3-4,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyAIKPAAXEIAMWGL-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.68
Rot. Bonds8

About 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene

1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene (PubChem CID 43742023) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
PubChem CID43742023
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
SMILESCCCC(CCC)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C13H23N3O2S/c1-3-6-11(7-4-2)15-12-8-5-9-13(10-12)16-19(14,17)18/h5,8-11,15-16H,3-4,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyAIKPAAXEIAMWGL-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene (CID 43742023) is 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene is CCCC(CCC)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene?
The InChIKey is AIKPAAXEIAMWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-6-11(7-4-2)15-12-8-5-9-13(10-12)16-19(14,17)18/h5,8-11,15-16H,3-4,6-7H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene?
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene has a molecular weight of 285.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 43742023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).