1-(4-aminophenyl)sulfonyl-3-butylurea

C11H17N3O3S — CID 9564

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IUPAC1-(4-aminophenyl)sulfonyl-3-butylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
InChIKeyVDTNNGKXZGSZIP-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.06
Rot. Bonds5

About 1-(4-aminophenyl)sulfonyl-3-butylurea

1-(4-aminophenyl)sulfonyl-3-butylurea (PubChem CID 9564) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)sulfonyl-3-butylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)sulfonyl-3-butylurea
PubChem CID9564
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(4-aminophenyl)sulfonyl-3-butylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
InChIKeyVDTNNGKXZGSZIP-UHFFFAOYSA-N
XLogP1.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfacytine
CID 5322
Sulfacarbamide
CID 11033
4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
4-Amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
CID 24856357
4-amino-N-propylbenzenesulfonamide
CID 2065546
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443
4-{[(Cyclohexylamino)carbonyl]amino}benzenesulfonamide
CID 1226644

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)sulfonyl-3-butylurea?
The IUPAC name of 1-(4-aminophenyl)sulfonyl-3-butylurea (CID 9564) is 1-(4-aminophenyl)sulfonyl-3-butylurea.
What is the SMILES notation for 1-(4-aminophenyl)sulfonyl-3-butylurea?
The canonical SMILES for 1-(4-aminophenyl)sulfonyl-3-butylurea is CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)sulfonyl-3-butylurea?
The InChIKey is VDTNNGKXZGSZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-aminophenyl)sulfonyl-3-butylurea?
1-(4-aminophenyl)sulfonyl-3-butylurea has a molecular weight of 271.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)sulfonyl-3-butylurea is sourced from PubChem (CID 9564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).