1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea

C19H25N3O3S — CID 46882764

IUPAC1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-2-3-4-8-15-20-19(23)21-16-11-13-18(14-12-16)26(24,25)22-17-9-6-5-7-10-17/h5-7,9-14,22H,2-4,8,15H2,1H3,(H2,20,21,23)
InChIKeyADKICSRVDIFTQJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.19
Rot. Bonds9

About 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea

1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea (PubChem CID 46882764) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea
PubChem CID46882764
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-2-3-4-8-15-20-19(23)21-16-11-13-18(14-12-16)26(24,25)22-17-9-6-5-7-10-17/h5-7,9-14,22H,2-4,8,15H2,1H3,(H2,20,21,23)
InChIKeyADKICSRVDIFTQJ-UHFFFAOYSA-N
XLogP4.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.19
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

Carbutamide
CID 9564
Slc-0111
CID 310360
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-Amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
CID 24856357
1-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 3421033
Benzenesulfonamide, N-[2-[[(phenylamino)carbonyl]amino]phenyl]-
CID 10044483
Amidapsone
CID 66267
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea?
The IUPAC name of 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea (CID 46882764) is 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea is CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea?
The InChIKey is ADKICSRVDIFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-3-4-8-15-20-19(23)21-16-11-13-18(14-12-16)26(24,25)22-17-9-6-5-7-10-17/h5-7,9-14,22H,2-4,8,15H2,1H3,(H2,20,21,23).
What are the key properties of 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea?
1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea has a molecular weight of 375.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[4-(phenylsulfamoyl)phenyl]urea is sourced from PubChem (CID 46882764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).