4-(butylcarbamoylamino)benzenesulfonyl chloride

C11H15ClN2O3S — CID 2757350

IUPAC4-(butylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,13,14,15)
InChIKeyNKYBDLFDAQPECU-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.54
Rot. Bonds5

About 4-(butylcarbamoylamino)benzenesulfonyl chloride

4-(butylcarbamoylamino)benzenesulfonyl chloride (PubChem CID 2757350) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-(butylcarbamoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(butylcarbamoylamino)benzenesulfonyl chloride
PubChem CID2757350
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-(butylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,13,14,15)
InChIKeyNKYBDLFDAQPECU-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(butylcarbamoylamino)benzenesulfonyl chloride 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

4-(butylcarbamoylamino)-2-methylbenzenesulfonyl chloride
CID 2757353
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 2758054
4-[8-(ethylcarbamoylamino)octylcarbamoylamino]benzenesulfonic acid
CID 163717383
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
CID 2756280
1-dodecyl-3-phenylurea
CID 3697946
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(butylcarbamoylamino)benzenesulfonyl chloride (CID 2757350) is 4-(butylcarbamoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(butylcarbamoylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(butylcarbamoylamino)benzenesulfonyl chloride is CCCCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(butylcarbamoylamino)benzenesulfonyl chloride?
The InChIKey is NKYBDLFDAQPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,13,14,15).
What are the key properties of 4-(butylcarbamoylamino)benzenesulfonyl chloride?
4-(butylcarbamoylamino)benzenesulfonyl chloride has a molecular weight of 290.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 2757350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).