N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide

C19H21N5O4S — CID 75529379

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H21N5O4S/c25-18-14(11-24-12-17(21-23-24)13-5-4-8-20-10-13)9-16(19(18)26)22-29(27,28)15-6-2-1-3-7-15/h1-8,10,12,14,16,18-19,22,25-26H,9,11H2/t14-,16-,18-,19+/m1/s1
InChIKeyQWICRIBBIYLUOD-OPNNQBFTSA-N
MW415.48 g/mol
LogP0.43
Rot. Bonds6

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide (PubChem CID 75529379) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide
PubChem CID75529379
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H21N5O4S/c25-18-14(11-24-12-17(21-23-24)13-5-4-8-20-10-13)9-16(19(18)26)22-29(27,28)15-6-2-1-3-7-15/h1-8,10,12,14,16,18-19,22,25-26H,9,11H2/t14-,16-,18-,19+/m1/s1
InChIKeyQWICRIBBIYLUOD-OPNNQBFTSA-N
XLogP0.43
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide (CID 75529379) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide is O=S(=O)(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide?
The InChIKey is QWICRIBBIYLUOD-OPNNQBFTSA-N. The full InChI is InChI=1S/C19H21N5O4S/c25-18-14(11-24-12-17(21-23-24)13-5-4-8-20-10-13)9-16(19(18)26)22-29(27,28)15-6-2-1-3-7-15/h1-8,10,12,14,16,18-19,22,25-26H,9,11H2/t14-,16-,18-,19+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide has a molecular weight of 415.48 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 75529379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).