1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea

C17H21N3O3S — CID 41430216

IUPAC1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyKCFQSKKKOAPUSR-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea

1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 41430216) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID41430216
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyKCFQSKKKOAPUSR-UHFFFAOYSA-N
XLogP3.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-(2-Cyanophenyl)-3-(4-sulfamoylphenyl)urea
CID 2476733
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea (CID 41430216) is 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea is CCCCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is KCFQSKKKOAPUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 347.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 41430216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).