N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide

C14H14ClN5O2S — CID 19582180

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C14H14ClN5O2S/c1-19-10-14(7-16-19)23(21,22)18-13-6-17-20(9-13)8-11-3-2-4-12(15)5-11/h2-7,9-10,18H,8H2,1H3
InChIKeyALKVDRIAQQBHDU-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.12
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 19582180) has the molecular formula C14H14ClN5O2S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID19582180
Molecular FormulaC14H14ClN5O2S
Molecular Weight351.82 g/mol
Exact Mass351.06
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C14H14ClN5O2S/c1-19-10-14(7-16-19)23(21,22)18-13-6-17-20(9-13)8-11-3-2-4-12(15)5-11/h2-7,9-10,18H,8H2,1H3
InChIKeyALKVDRIAQQBHDU-UHFFFAOYSA-N
XLogP2.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide (CID 19582180) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cn1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ALKVDRIAQQBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S/c1-19-10-14(7-16-19)23(21,22)18-13-6-17-20(9-13)8-11-3-2-4-12(15)5-11/h2-7,9-10,18H,8H2,1H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 351.82 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19582180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).