N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H21N3O3S — CID 97428254

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O3S/c21-24(22,17-6-5-13-3-1-2-4-14(13)9-17)19-15-10-18-20(11-15)16-7-8-23-12-16/h5-6,9-11,16,19H,1-4,7-8,12H2/t16-/m0/s1
InChIKeyNKRSQBWIMMVSQN-INIZCTEOSA-N
MW347.44 g/mol
LogP2.52
Rot. Bonds4

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 97428254) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID97428254
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O3S/c21-24(22,17-6-5-13-3-1-2-4-14(13)9-17)19-15-10-18-20(11-15)16-7-8-23-12-16/h5-6,9-11,16,19H,1-4,7-8,12H2/t16-/m0/s1
InChIKeyNKRSQBWIMMVSQN-INIZCTEOSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
[m-(trifluoromethyl)phenylsulfonyl]{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428248
2,4,6-trimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810290
(E)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(p-tolyl)ethenesulfonamide
CID 72719677
N-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 31913101
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22202048
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22204820
3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534419
2-fluoro-5-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534449

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 97428254) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is NKRSQBWIMMVSQN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,17-6-5-13-3-1-2-4-14(13)9-17)19-15-10-18-20(11-15)16-7-8-23-12-16/h5-6,9-11,16,19H,1-4,7-8,12H2/t16-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 97428254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).