3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride

C14H17Cl2NO3S — CID 65397644

IUPAC3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(C(=O)NC(C)CC2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-8(5-10-3-4-10)17-14(18)11-6-12(15)9(2)13(7-11)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)
InChIKeyNNUNLKVYCXRNDK-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.49
Rot. Bonds5

About 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride

3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride (PubChem CID 65397644) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
PubChem CID65397644
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(C(=O)NC(C)CC2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17Cl2NO3S/c1-8(5-10-3-4-10)17-14(18)11-6-12(15)9(2)13(7-11)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)
InChIKeyNNUNLKVYCXRNDK-UHFFFAOYSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65397452
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
3-chloro-2-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396843
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
3,5-dichloro-4-(1-cyclopropylpropan-2-ylcarbamoylamino)benzoic acid
CID 82811633
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride (CID 65397644) is 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride is Cc1c(Cl)cc(C(=O)NC(C)CC2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is NNUNLKVYCXRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-8(5-10-3-4-10)17-14(18)11-6-12(15)9(2)13(7-11)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride?
3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65397644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).