4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C13H18N4O2S — CID 80689629

IUPAC4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4O2S/c1-14-12-3-5-13(6-4-12)20(18,19)16-8-7-11-9-15-17(2)10-11/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyROBGPFDQJPOZRX-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.98
Rot. Bonds6

About 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 80689629) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID80689629
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4O2S/c1-14-12-3-5-13(6-4-12)20(18,19)16-8-7-11-9-15-17(2)10-11/h3-6,9-10,14,16H,7-8H2,1-2H3
InChIKeyROBGPFDQJPOZRX-UHFFFAOYSA-N
XLogP0.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304
N-[2-(furan-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71807049
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 80689629) is 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is CNc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is ROBGPFDQJPOZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-14-12-3-5-13(6-4-12)20(18,19)16-8-7-11-9-15-17(2)10-11/h3-6,9-10,14,16H,7-8H2,1-2H3.
What are the key properties of 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 80689629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).