2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

C14H20ClNO3S — CID 65370050

IUPAC2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-5-9(2)11(4)16-14(17)12-7-6-10(3)13(8-12)20(15,18)19/h6-9,11H,5H2,1-4H3,(H,16,17)
InChIKeyDNPMSNDYKFOJNY-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370050) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370050
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-5-9(2)11(4)16-14(17)12-7-6-10(3)13(8-12)20(15,18)19/h6-9,11H,5H2,1-4H3,(H,16,17)
InChIKeyDNPMSNDYKFOJNY-UHFFFAOYSA-N
XLogP3.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370425
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65370050) is 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is CCC(C)C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is DNPMSNDYKFOJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-5-9(2)11(4)16-14(17)12-7-6-10(3)13(8-12)20(15,18)19/h6-9,11H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 317.84 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).