1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide

C17H24N4O4S — CID 91793360

IUPAC1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1
InChIInChI=1S/C17H24N4O4S/c1-12-17(13(2)21(3)19-12)26(22,23)20-15-11-24-9-7-16(15)25-10-14-6-4-5-8-18-14/h4-6,8,15-16,20H,7,9-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyWBYYVVCBHLKIER-HZPDHXFCSA-N
MW380.47 g/mol
LogP1.08
Rot. Bonds6

About 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide (PubChem CID 91793360) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide
PubChem CID91793360
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1
InChIInChI=1S/C17H24N4O4S/c1-12-17(13(2)21(3)19-12)26(22,23)20-15-11-24-9-7-16(15)25-10-14-6-4-5-8-18-14/h4-6,8,15-16,20H,7,9-11H2,1-3H3/t15-,16-/m1/s1
InChIKeyWBYYVVCBHLKIER-HZPDHXFCSA-N
XLogP1.08
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide (CID 91793360) is 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1.
What is the InChIKey of 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide?
The InChIKey is WBYYVVCBHLKIER-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12-17(13(2)21(3)19-12)26(22,23)20-15-11-24-9-7-16(15)25-10-14-6-4-5-8-18-14/h4-6,8,15-16,20H,7,9-11H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91793360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).