4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide

C12H15ClN4O2S — CID 106057369

IUPAC4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2cccc(Cl)c2C)c1CN
InChIInChI=1S/C12H15ClN4O2S/c1-7-10(13)4-3-5-11(7)17-20(18,19)12-9(6-14)8(2)15-16-12/h3-5,17H,6,14H2,1-2H3,(H,15,16)
InChIKeyMQHAPXGEJDQGSU-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.94
Rot. Bonds4

About 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106057369) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106057369
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2cccc(Cl)c2C)c1CN
InChIInChI=1S/C12H15ClN4O2S/c1-7-10(13)4-3-5-11(7)17-20(18,19)12-9(6-14)8(2)15-16-12/h3-5,17H,6,14H2,1-2H3,(H,15,16)
InChIKeyMQHAPXGEJDQGSU-UHFFFAOYSA-N
XLogP1.94
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
N-(2-chloro-6-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070674
3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106061953
4-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106067194
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055543
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106057369) is 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)Nc2cccc(Cl)c2C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is MQHAPXGEJDQGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-7-10(13)4-3-5-11(7)17-20(18,19)12-9(6-14)8(2)15-16-12/h3-5,17H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).