2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide

C15H17Cl2N3O2S — CID 91629008

IUPAC2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2ccnc2C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2S/c1-10-8-14(13(17)9-12(10)16)23(21,22)19-5-7-20-6-4-18-15(20)11-2-3-11/h4,6,8-9,11,19H,2-3,5,7H2,1H3
InChIKeyLAXBVXIWENCQMS-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.35
Rot. Bonds6

About 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 91629008) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID91629008
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC Name2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2ccnc2C2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2S/c1-10-8-14(13(17)9-12(10)16)23(21,22)19-5-7-20-6-4-18-15(20)11-2-3-11/h4,6,8-9,11,19H,2-3,5,7H2,1H3
InChIKeyLAXBVXIWENCQMS-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide (CID 91629008) is 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCn2ccnc2C2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is LAXBVXIWENCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S/c1-10-8-14(13(17)9-12(10)16)23(21,22)19-5-7-20-6-4-18-15(20)11-2-3-11/h4,6,8-9,11,19H,2-3,5,7H2,1H3.
What are the key properties of 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 91629008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).