2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride

C13H14Cl3NO3S — CID 65367156

IUPAC2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCCC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H14Cl3NO3S/c14-8-6-10(12(15)11(7-8)21(16,19)20)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeySLEOPVSOIPEZGP-UHFFFAOYSA-N
MW370.69 g/mol
LogP3.98
Rot. Bonds3

About 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride

2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65367156) has the molecular formula C13H14Cl3NO3S and a molecular weight of 370.69 g/mol. Its IUPAC name is 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
PubChem CID65367156
Molecular FormulaC13H14Cl3NO3S
Molecular Weight370.69 g/mol
Exact Mass368.98
IUPAC Name2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCCC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H14Cl3NO3S/c14-8-6-10(12(15)11(7-8)21(16,19)20)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18)
InChIKeySLEOPVSOIPEZGP-UHFFFAOYSA-N
XLogP3.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
2,4-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65366806
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
cyclopentylmethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 66324019
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride (CID 65367156) is 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CCCCC1)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is SLEOPVSOIPEZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO3S/c14-8-6-10(12(15)11(7-8)21(16,19)20)13(18)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,18).
What are the key properties of 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 370.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).