N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide

C13H18N4O2S — CID 43715592

IUPACN,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccnn2C)c1
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-5-11(9-13)14-10-12-7-8-15-17(12)3/h4-9,14H,10H2,1-3H3
InChIKeyBFCMMFWOTOECDT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.28
Rot. Bonds5

About N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide

N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide (PubChem CID 43715592) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
PubChem CID43715592
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccnn2C)c1
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-5-11(9-13)14-10-12-7-8-15-17(12)3/h4-9,14H,10H2,1-3H3
InChIKeyBFCMMFWOTOECDT-UHFFFAOYSA-N
XLogP1.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 66414740
3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79611395
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 86815879
N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43663156

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide (CID 43715592) is N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCc2ccnn2C)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is BFCMMFWOTOECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-5-11(9-13)14-10-12-7-8-15-17(12)3/h4-9,14H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43715592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).