4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide

C13H17ClN4O2S — CID 106044385

IUPAC4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)cnn1C
InChIInChI=1S/C13H17ClN4O2S/c1-9-11(7-16-18(9)2)8-17-21(19,20)12-4-3-10(6-15)13(14)5-12/h3-5,7,17H,6,8,15H2,1-2H3
InChIKeySZASOJMDNZKGPV-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.32
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide

4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106044385) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID106044385
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)cnn1C
InChIInChI=1S/C13H17ClN4O2S/c1-9-11(7-16-18(9)2)8-17-21(19,20)12-4-3-10(6-15)13(14)5-12/h3-5,7,17H,6,8,15H2,1-2H3
InChIKeySZASOJMDNZKGPV-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044391
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
CID 106833536
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
4-bromo-2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103858773
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 106033808
4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 107091539

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 106044385) is 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1c(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)cnn1C.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SZASOJMDNZKGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-9-11(7-16-18(9)2)8-17-21(19,20)12-4-3-10(6-15)13(14)5-12/h3-5,7,17H,6,8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.83 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106044385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).