3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride

C13H16ClNO3S — CID 61292517

IUPAC3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC1CC1
InChIInChI=1S/C13H16ClNO3S/c1-9-3-6-11(19(14,17)18)7-12(9)13(16)15(2)8-10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyRDNGJDACTZPFTB-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.40
Rot. Bonds4

About 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride

3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride (PubChem CID 61292517) has the molecular formula C13H16ClNO3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
PubChem CID61292517
Molecular FormulaC13H16ClNO3S
Molecular Weight301.80 g/mol
Exact Mass301.05
IUPAC Name3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC1CC1
InChIInChI=1S/C13H16ClNO3S/c1-9-3-6-11(19(14,17)18)7-12(9)13(16)15(2)8-10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyRDNGJDACTZPFTB-UHFFFAOYSA-N
XLogP2.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665
5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367180
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
2-[cyclobutylmethyl(methyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 62861182
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride (CID 61292517) is 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride?
The InChIKey is RDNGJDACTZPFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9-3-6-11(19(14,17)18)7-12(9)13(16)15(2)8-10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride?
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride has a molecular weight of 301.80 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 61292517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).