3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C17H19ClN2O3S — CID 11603070

IUPAC3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(COCC2CC2)cn1
InChIInChI=1S/C17H19ClN2O3S/c1-12-15(18)3-2-4-16(12)24(21,22)20-17-8-7-14(9-19-17)11-23-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,19,20)
InChIKeyVOFCECBLLJKRLJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.77
Rot. Bonds7

About 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11603070) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11603070
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(COCC2CC2)cn1
InChIInChI=1S/C17H19ClN2O3S/c1-12-15(18)3-2-4-16(12)24(21,22)20-17-8-7-14(9-19-17)11-23-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,19,20)
InChIKeyVOFCECBLLJKRLJ-UHFFFAOYSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11603070) is 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(COCC2CC2)cn1.
What is the InChIKey of 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is VOFCECBLLJKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-15(18)3-2-4-16(12)24(21,22)20-17-8-7-14(9-19-17)11-23-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11603070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).