2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride

C15H22Cl2N2O3S — CID 45156372

IUPAC2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-5-9-19(10-6-4-2)15(20)18-12-7-8-14(13(16)11-12)23(17,21)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyBUTNJQAVSZMCLV-UHFFFAOYSA-N
MW381.33 g/mol
LogP4.70
Rot. Bonds8

About 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride

2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride (PubChem CID 45156372) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
PubChem CID45156372
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
SMILESCCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O3S/c1-3-5-9-19(10-6-4-2)15(20)18-12-7-8-14(13(16)11-12)23(17,21)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyBUTNJQAVSZMCLV-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
CID 45156351
4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 2758054
1,1-dibutyl-3-(3,4-dichlorophenyl)thiourea
CID 19653145
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 99079641
5-[[butyl(methyl)carbamoyl]amino]-2-chlorobenzoic acid
CID 61186407
3-(3,4-dichlorophenyl)-1,1-dipentylthiourea
CID 19653299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride (CID 45156372) is 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride is CCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
The InChIKey is BUTNJQAVSZMCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-3-5-9-19(10-6-4-2)15(20)18-12-7-8-14(13(16)11-12)23(17,21)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride?
2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride has a molecular weight of 381.33 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 45156372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).