5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide

C14H24ClN3O3S — CID 164640112

IUPAC5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
SMILESCC(C)CNc1ncc(S(=O)(=O)N(C)CC[C@H](C)O)cc1Cl
InChIInChI=1S/C14H24ClN3O3S/c1-10(2)8-16-14-13(15)7-12(9-17-14)22(20,21)18(4)6-5-11(3)19/h7,9-11,19H,5-6,8H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyWKTRNQMBUYMBMD-NSHDSACASA-N
MW349.88 g/mol
LogP2.19
Rot. Bonds8

About 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide

5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide (PubChem CID 164640112) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
PubChem CID164640112
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
SMILESCC(C)CNc1ncc(S(=O)(=O)N(C)CC[C@H](C)O)cc1Cl
InChIInChI=1S/C14H24ClN3O3S/c1-10(2)8-16-14-13(15)7-12(9-17-14)22(20,21)18(4)6-5-11(3)19/h7,9-11,19H,5-6,8H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyWKTRNQMBUYMBMD-NSHDSACASA-N
XLogP2.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide (CID 164640112) is 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide is CC(C)CNc1ncc(S(=O)(=O)N(C)CC[C@H](C)O)cc1Cl.
What is the InChIKey of 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide?
The InChIKey is WKTRNQMBUYMBMD-NSHDSACASA-N. The full InChI is InChI=1S/C14H24ClN3O3S/c1-10(2)8-16-14-13(15)7-12(9-17-14)22(20,21)18(4)6-5-11(3)19/h7,9-11,19H,5-6,8H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide?
5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide has a molecular weight of 349.88 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 164640112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).