N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide

C15H21N3O2S — CID 172691631

IUPACN-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C(C)C)c1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-11(2)15-14(12(3)17-18(15)4)10-16-21(19,20)13-8-6-5-7-9-13/h5-9,11,16H,10H2,1-4H3
InChIKeyBTICDVWHVFCUBE-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.33
Rot. Bonds5

About N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide

N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 172691631) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID172691631
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C(C)C)c1CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-11(2)15-14(12(3)17-18(15)4)10-16-21(19,20)13-8-6-5-7-9-13/h5-9,11,16H,10H2,1-4H3
InChIKeyBTICDVWHVFCUBE-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide (CID 172691631) is N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(C)c(C(C)C)c1CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is BTICDVWHVFCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)15-14(12(3)17-18(15)4)10-16-21(19,20)13-8-6-5-7-9-13/h5-9,11,16H,10H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide?
N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 172691631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).