2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide

C12H15ClN4O2S — CID 106103895

IUPAC2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1ccc(CCNS(=O)(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C12H15ClN4O2S/c1-17-8-6-9(16-17)5-7-15-20(18,19)12-10(13)3-2-4-11(12)14/h2-4,6,8,15H,5,7,14H2,1H3
InChIKeySKUWFVYDOPIGJT-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide

2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106103895) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106103895
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCn1ccc(CCNS(=O)(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C12H15ClN4O2S/c1-17-8-6-9(16-17)5-7-15-20(18,19)12-10(13)3-2-4-11(12)14/h2-4,6,8,15H,5,7,14H2,1H3
InChIKeySKUWFVYDOPIGJT-UHFFFAOYSA-N
XLogP1.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.18
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

2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
4-amino-2,6-dibromo-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103937
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
3-amino-2,4-difluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103901
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103943
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide (CID 106103895) is 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide is Cn1ccc(CCNS(=O)(=O)c2c(N)cccc2Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is SKUWFVYDOPIGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-17-8-6-9(16-17)5-7-15-20(18,19)12-10(13)3-2-4-11(12)14/h2-4,6,8,15H,5,7,14H2,1H3.
What are the key properties of 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106103895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).