4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide

C10H19ClN4O3S — CID 106150783

IUPAC4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H19ClN4O3S/c1-10(16,7-14(2)3)6-13-19(17,18)9-8(11)5-12-15(9)4/h5,13,16H,6-7H2,1-4H3
InChIKeyLDZVKTYSCVXUSU-UHFFFAOYSA-N
MW310.81 g/mol
LogP-0.34
Rot. Bonds6

About 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106150783) has the molecular formula C10H19ClN4O3S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
PubChem CID106150783
Molecular FormulaC10H19ClN4O3S
Molecular Weight310.81 g/mol
Exact Mass310.09
IUPAC Name4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H19ClN4O3S/c1-10(16,7-14(2)3)6-13-19(17,18)9-8(11)5-12-15(9)4/h5,13,16H,6-7H2,1-4H3
InChIKeyLDZVKTYSCVXUSU-UHFFFAOYSA-N
XLogP-0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-methylpyrazole-5-sulfonamide
CID 114150470
4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
CID 114172640
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150671
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150690
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106149451
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide (CID 106150783) is 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is LDZVKTYSCVXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN4O3S/c1-10(16,7-14(2)3)6-13-19(17,18)9-8(11)5-12-15(9)4/h5,13,16H,6-7H2,1-4H3.
What are the key properties of 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).