4-(dibutylcarbamoyl)benzenesulfonyl chloride

C15H22ClNO3S — CID 43125989

IUPAC4-(dibutylcarbamoyl)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(10-8-13)21(16,19)20/h7-10H,3-6,11-12H2,1-2H3
InChIKeyQXCHQLAVXQZNNK-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.66
Rot. Bonds8

About 4-(dibutylcarbamoyl)benzenesulfonyl chloride

4-(dibutylcarbamoyl)benzenesulfonyl chloride (PubChem CID 43125989) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 4-(dibutylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dibutylcarbamoyl)benzenesulfonyl chloride
PubChem CID43125989
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name4-(dibutylcarbamoyl)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H22ClNO3S/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(10-8-13)21(16,19)20/h7-10H,3-6,11-12H2,1-2H3
InChIKeyQXCHQLAVXQZNNK-UHFFFAOYSA-N
XLogP3.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 2758054
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855791
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 78856047

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(dibutylcarbamoyl)benzenesulfonyl chloride (CID 43125989) is 4-(dibutylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(dibutylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(dibutylcarbamoyl)benzenesulfonyl chloride is CCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(dibutylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is QXCHQLAVXQZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(10-8-13)21(16,19)20/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(dibutylcarbamoyl)benzenesulfonyl chloride?
4-(dibutylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 331.86 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43125989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).