3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride

C14H17Cl2NO3S — CID 107180023

IUPAC3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)C1CCCC1C
InChIInChI=1S/C14H17Cl2NO3S/c1-8-4-3-5-11(8)14(18)17-13-9(2)6-10(7-12(13)15)21(16,19)20/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyTYWYTSBBXISAQN-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.95
Rot. Bonds3

About 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride

3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride (PubChem CID 107180023) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
PubChem CID107180023
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)C1CCCC1C
InChIInChI=1S/C14H17Cl2NO3S/c1-8-4-3-5-11(8)14(18)17-13-9(2)6-10(7-12(13)15)21(16,19)20/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyTYWYTSBBXISAQN-UHFFFAOYSA-N
XLogP3.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
CID 43111105
3-chloro-4-[(2-cyclobutylacetyl)amino]-5-methylbenzenesulfonyl chloride
CID 103164416
3-chloro-4-[(2,2-dimethylcyclopropanecarbonyl)amino]-5-methylbenzenesulfonyl chloride
CID 107002055
3-chloro-5-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 66262669
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107180012
3,5-dimethyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62907041
3-chloro-5-methyl-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 66262671
3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
CID 43103226
3,5-dimethyl-4-(oxane-3-carbonylamino)benzenesulfonyl chloride
CID 63011502
2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176182
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride (CID 107180023) is 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(Cl)c1NC(=O)C1CCCC1C.
What is the InChIKey of 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The InChIKey is TYWYTSBBXISAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-8-4-3-5-11(8)14(18)17-13-9(2)6-10(7-12(13)15)21(16,19)20/h6-8,11H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 107180023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).