N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H19FN4O2S — CID 113097212

IUPACN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C17H19FN4O2S/c1-9-17(10(2)21-20-9)25(23,24)22-12-4-6-15-14(8-12)13-5-3-11(18)7-16(13)19-15/h3,5,7,12,19,22H,4,6,8H2,1-2H3,(H,20,21)
InChIKeyQEDDWEBMQNEWNI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.48
Rot. Bonds3

About N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113097212) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113097212
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1
InChIInChI=1S/C17H19FN4O2S/c1-9-17(10(2)21-20-9)25(23,24)22-12-4-6-15-14(8-12)13-5-3-11(18)7-16(13)19-15/h3,5,7,12,19,22H,4,6,8H2,1-2H3,(H,20,21)
InChIKeyQEDDWEBMQNEWNI-UHFFFAOYSA-N
XLogP2.48
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113097212) is N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCc2[nH]c3cc(F)ccc3c2C1.
What is the InChIKey of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QEDDWEBMQNEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-9-17(10(2)21-20-9)25(23,24)22-12-4-6-15-14(8-12)13-5-3-11(18)7-16(13)19-15/h3,5,7,12,19,22H,4,6,8H2,1-2H3,(H,20,21).
What are the key properties of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113097212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).