N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide

C16H17Cl2N5O2S — CID 17022873

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C16H17Cl2N5O2S/c1-10-16(21-26(24,25)14-7-19-22(3)9-14)11(2)23(20-10)8-12-4-5-13(17)6-15(12)18/h4-7,9,21H,8H2,1-3H3
InChIKeyQRJSFXTWGUYOQD-UHFFFAOYSA-N
MW414.32 g/mol
LogP3.39
Rot. Bonds5

About N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 17022873) has the molecular formula C16H17Cl2N5O2S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID17022873
Molecular FormulaC16H17Cl2N5O2S
Molecular Weight414.32 g/mol
Exact Mass413.05
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C16H17Cl2N5O2S/c1-10-16(21-26(24,25)14-7-19-22(3)9-14)11(2)23(20-10)8-12-4-5-13(17)6-15(12)18/h4-7,9,21H,8H2,1-3H3
InChIKeyQRJSFXTWGUYOQD-UHFFFAOYSA-N
XLogP3.39
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 17022683
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17022898
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1,5-dimethylpyrazol-4-yl)prop-2-enamide
CID 3623395
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526401
1-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572989
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476051
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
2-[5-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482340
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
(E)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19347004
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19334156

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide (CID 17022873) is N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide is Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is QRJSFXTWGUYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2S/c1-10-16(21-26(24,25)14-7-19-22(3)9-14)11(2)23(20-10)8-12-4-5-13(17)6-15(12)18/h4-7,9,21H,8H2,1-3H3.
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 414.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).