4-(dibutylcarbamoylamino)benzenesulfonyl chloride

C15H23ClN2O3S — CID 2758054

IUPAC4-(dibutylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H23ClN2O3S/c1-3-5-11-18(12-6-4-2)15(19)17-13-7-9-14(10-8-13)22(16,20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyJCPRHFBMTAGWDR-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.05
Rot. Bonds8

About 4-(dibutylcarbamoylamino)benzenesulfonyl chloride

4-(dibutylcarbamoylamino)benzenesulfonyl chloride (PubChem CID 2758054) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-(dibutylcarbamoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dibutylcarbamoylamino)benzenesulfonyl chloride
PubChem CID2758054
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name4-(dibutylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H23ClN2O3S/c1-3-5-11-18(12-6-4-2)15(19)17-13-7-9-14(10-8-13)22(16,20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyJCPRHFBMTAGWDR-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 45156372
4-(butylcarbamoylamino)benzenesulfonyl chloride
CID 2757350
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
CID 108885891
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(dibutylcarbamoylamino)benzenesulfonyl chloride (CID 2758054) is 4-(dibutylcarbamoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(dibutylcarbamoylamino)benzenesulfonyl chloride is CCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The InChIKey is JCPRHFBMTAGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-3-5-11-18(12-6-4-2)15(19)17-13-7-9-14(10-8-13)22(16,20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of 4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
4-(dibutylcarbamoylamino)benzenesulfonyl chloride has a molecular weight of 346.88 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylcarbamoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 2758054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).