5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride

C15H22ClNO3S — CID 65396813

IUPAC5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
SMILESCCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C
InChIInChI=1S/C15H22ClNO3S/c1-5-6-7-12(4)17-15(18)13-9-14(21(16,19)20)11(3)8-10(13)2/h8-9,12H,5-7H2,1-4H3,(H,17,18)
InChIKeyUUCLMPSOEANUIU-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.54
Rot. Bonds6

About 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride

5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride (PubChem CID 65396813) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
PubChem CID65396813
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
SMILESCCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C
InChIInChI=1S/C15H22ClNO3S/c1-5-6-7-12(4)17-15(18)13-9-14(21(16,19)20)11(3)8-10(13)2/h8-9,12H,5-7H2,1-4H3,(H,17,18)
InChIKeyUUCLMPSOEANUIU-UHFFFAOYSA-N
XLogP3.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-ethoxypropan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65396599
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
2,4-dimethyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371687
3,4-dimethyl-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368768
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
methyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 43436743
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
3-methyl-4-(5-methylhexan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 63927112
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072

Frequently Asked Questions

What is the IUPAC name of 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride (CID 65396813) is 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride is CCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C.
What is the InChIKey of 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride?
The InChIKey is UUCLMPSOEANUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-5-6-7-12(4)17-15(18)13-9-14(21(16,19)20)11(3)8-10(13)2/h8-9,12H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride?
5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride has a molecular weight of 331.87 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65396813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).