1-(pentylamino)-3-(sulfamoylamino)benzene

C11H19N3O2S — CID 43741926

IUPAC1-(pentylamino)-3-(sulfamoylamino)benzene
SMILESCCCCCNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-2-3-4-8-13-10-6-5-7-11(9-10)14-17(12,15)16/h5-7,9,13-14H,2-4,8H2,1H3,(H2,12,15,16)
InChIKeyHBZATIPPTUMPTH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.90
Rot. Bonds7

About 1-(pentylamino)-3-(sulfamoylamino)benzene

1-(pentylamino)-3-(sulfamoylamino)benzene (PubChem CID 43741926) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(pentylamino)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(pentylamino)-3-(sulfamoylamino)benzene
PubChem CID43741926
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(pentylamino)-3-(sulfamoylamino)benzene
SMILESCCCCCNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-2-3-4-8-13-10-6-5-7-11(9-10)14-17(12,15)16/h5-7,9,13-14H,2-4,8H2,1H3,(H2,12,15,16)
InChIKeyHBZATIPPTUMPTH-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
CID 103821849
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
3-N-octadecylbenzene-1,3-diamine
CID 154090035
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
N-[3-(octylamino)phenyl]propanamide
CID 43130255
3-bromo-N-octylaniline
CID 43129310
N-hexyl-3-methoxyaniline
CID 15500485

Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(pentylamino)-3-(sulfamoylamino)benzene (CID 43741926) is 1-(pentylamino)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(pentylamino)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(pentylamino)-3-(sulfamoylamino)benzene is CCCCCNc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 1-(pentylamino)-3-(sulfamoylamino)benzene?
The InChIKey is HBZATIPPTUMPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-3-4-8-13-10-6-5-7-11(9-10)14-17(12,15)16/h5-7,9,13-14H,2-4,8H2,1H3,(H2,12,15,16).
What are the key properties of 1-(pentylamino)-3-(sulfamoylamino)benzene?
1-(pentylamino)-3-(sulfamoylamino)benzene has a molecular weight of 257.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 43741926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).