4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide

C10H17ClN4O3S — CID 106315413

IUPAC4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
SMILESCN(CC1CNCCO1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H17ClN4O3S/c1-14(7-8-5-12-3-4-18-8)19(16,17)10-9(11)6-13-15(10)2/h6,8,12H,3-5,7H2,1-2H3
InChIKeyMOYUAZMJLGCYSL-UHFFFAOYSA-N
MW308.79 g/mol
LogP-0.32
Rot. Bonds4

About 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide

4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide (PubChem CID 106315413) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
PubChem CID106315413
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
SMILESCN(CC1CNCCO1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H17ClN4O3S/c1-14(7-8-5-12-3-4-18-8)19(16,17)10-9(11)6-13-15(10)2/h6,8,12H,3-5,7H2,1-2H3
InChIKeyMOYUAZMJLGCYSL-UHFFFAOYSA-N
XLogP-0.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669984
N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 155955727
2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446630
4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
CID 106150868
4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide
CID 106315072
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669990
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-1-methylpyrazole-5-sulfonamide
CID 106316187
N-(2-amino-1-cyclopropylethyl)-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106315477
4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide (CID 106315413) is 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide is CN(CC1CNCCO1)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide?
The InChIKey is MOYUAZMJLGCYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-14(7-8-5-12-3-4-18-8)19(16,17)10-9(11)6-13-15(10)2/h6,8,12H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide?
4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106315413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).