3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride

C14H18ClNO3S — CID 65395912

IUPAC3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-3-16(9-11-4-5-11)14(17)12-6-10(2)7-13(8-12)20(15,18)19/h6-8,11H,3-5,9H2,1-2H3
InChIKeyDRHWURJWJNSIPA-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.79
Rot. Bonds5

About 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride

3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride (PubChem CID 65395912) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
PubChem CID65395912
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-3-16(9-11-4-5-11)14(17)12-6-10(2)7-13(8-12)20(15,18)19/h6-8,11H,3-5,9H2,1-2H3
InChIKeyDRHWURJWJNSIPA-UHFFFAOYSA-N
XLogP2.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
CID 65397254
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65372530
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65388304
3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
CID 65368215
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 63957017

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride (CID 65395912) is 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride is CCN(CC1CC1)C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The InChIKey is DRHWURJWJNSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-3-16(9-11-4-5-11)14(17)12-6-10(2)7-13(8-12)20(15,18)19/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65395912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).