2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide

C11H13Cl2NO2S — CID 2799394

IUPAC2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-7-4-11(10(13)5-9(7)12)17(15,16)14-6-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyUCAMRXWILQKOIT-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.99
Rot. Bonds4

About 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide (PubChem CID 2799394) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide
PubChem CID2799394
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-7-4-11(10(13)5-9(7)12)17(15,16)14-6-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyUCAMRXWILQKOIT-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide (CID 2799394) is 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide?
The InChIKey is UCAMRXWILQKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-7-4-11(10(13)5-9(7)12)17(15,16)14-6-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide has a molecular weight of 294.20 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(cyclopropylmethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 2799394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).