N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide

C18H18ClN3O2S — CID 22204533

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-2-14-7-9-17(10-8-14)25(23,24)21-16-11-20-22(13-16)12-15-5-3-4-6-18(15)19/h3-11,13,21H,2,12H2,1H3
InChIKeyBODIHNIQHKDHSD-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide (PubChem CID 22204533) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
PubChem CID22204533
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-2-14-7-9-17(10-8-14)25(23,24)21-16-11-20-22(13-16)12-15-5-3-4-6-18(15)19/h3-11,13,21H,2,12H2,1H3
InChIKeyBODIHNIQHKDHSD-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethylphenyl)thiourea
CID 19343147
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204570
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-butan-2-ylbenzenesulfonamide
CID 22205303
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide (CID 22204533) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide?
The InChIKey is BODIHNIQHKDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-2-14-7-9-17(10-8-14)25(23,24)21-16-11-20-22(13-16)12-15-5-3-4-6-18(15)19/h3-11,13,21H,2,12H2,1H3.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 22204533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).