3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C14H20N4O2S — CID 93345301

IUPAC3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCC[C@@H](NC)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O2S/c1-4-14(15-2)11-6-5-7-13(8-11)21(19,20)17-12-9-16-18(3)10-12/h5-10,14-15,17H,4H2,1-3H3/t14-/m1/s1
InChIKeyDUHKXUIIQMXCGF-CQSZACIVSA-N
MW308.41 g/mol
LogP1.89
Rot. Bonds6

About 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide

3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 93345301) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID93345301
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCC[C@@H](NC)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O2S/c1-4-14(15-2)11-6-5-7-13(8-11)21(19,20)17-12-9-16-18(3)10-12/h5-10,14-15,17H,4H2,1-3H3/t14-/m1/s1
InChIKeyDUHKXUIIQMXCGF-CQSZACIVSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 97231398
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 93345301) is 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide is CC[C@@H](NC)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1.
What is the InChIKey of 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is DUHKXUIIQMXCGF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-14(15-2)11-6-5-7-13(8-11)21(19,20)17-12-9-16-18(3)10-12/h5-10,14-15,17H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 93345301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).