N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide

C13H16ClN3O3S — CID 167927169

IUPACN-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2CO)cn1
InChIInChI=1S/C13H16ClN3O3S/c1-3-17-7-10(6-15-17)21(19,20)16-13-9(2)4-5-12(14)11(13)8-18/h4-7,16,18H,3,8H2,1-2H3
InChIKeyRJUSEOSQQVVXEQ-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.16
Rot. Bonds5

About N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide

N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 167927169) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID167927169
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2CO)cn1
InChIInChI=1S/C13H16ClN3O3S/c1-3-17-7-10(6-15-17)21(19,20)16-13-9(2)4-5-12(14)11(13)8-18/h4-7,16,18H,3,8H2,1-2H3
InChIKeyRJUSEOSQQVVXEQ-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 126837841
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
N-[3-[(E)-1-cyanoprop-1-enyl]-2,4-dimethylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 155708807
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide (CID 167927169) is N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2CO)cn1.
What is the InChIKey of N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RJUSEOSQQVVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-3-17-7-10(6-15-17)21(19,20)16-13-9(2)4-5-12(14)11(13)8-18/h4-7,16,18H,3,8H2,1-2H3.
What are the key properties of N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide?
N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 167927169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).