4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide

C12H15ClN4O2S — CID 106033797

IUPAC4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccc(N)cc2Cl)cnn1C
InChIInChI=1S/C12H15ClN4O2S/c1-8-9(6-15-17(8)2)7-16-20(18,19)12-4-3-10(14)5-11(12)13/h3-6,16H,7,14H2,1-2H3
InChIKeyKNBZQFSHYOAZQH-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide

4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106033797) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID106033797
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccc(N)cc2Cl)cnn1C
InChIInChI=1S/C12H15ClN4O2S/c1-8-9(6-15-17(8)2)7-16-20(18,19)12-4-3-10(14)5-11(12)13/h3-6,16H,7,14H2,1-2H3
InChIKeyKNBZQFSHYOAZQH-UHFFFAOYSA-N
XLogP1.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106033911
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106033916
4-bromo-2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103858773
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 106033808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 103858768

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 106033797) is 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1c(CNS(=O)(=O)c2ccc(N)cc2Cl)cnn1C.
What is the InChIKey of 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is KNBZQFSHYOAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-8-9(6-15-17(8)2)7-16-20(18,19)12-4-3-10(14)5-11(12)13/h3-6,16H,7,14H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106033797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).