N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide

C16H13Cl2N3O2S — CID 71583677

IUPACN,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide
SMILESCn1cc(-c2ccc(Cl)cc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-21-10-15(11-2-4-12(17)5-3-11)16(19-21)24(22,23)20-14-8-6-13(18)7-9-14/h2-10,20H,1H3
InChIKeyAWGKDZMWBXPKPD-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.19
Rot. Bonds4

About N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide

N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide (PubChem CID 71583677) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide
PubChem CID71583677
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide
SMILESCn1cc(-c2ccc(Cl)cc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3O2S/c1-21-10-15(11-2-4-12(17)5-3-11)16(19-21)24(22,23)20-14-8-6-13(18)7-9-14/h2-10,20H,1H3
InChIKeyAWGKDZMWBXPKPD-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide?
The IUPAC name of N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide (CID 71583677) is N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide is Cn1cc(-c2ccc(Cl)cc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide?
The InChIKey is AWGKDZMWBXPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-21-10-15(11-2-4-12(17)5-3-11)16(19-21)24(22,23)20-14-8-6-13(18)7-9-14/h2-10,20H,1H3.
What are the key properties of N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide?
N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 71583677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).