1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

C6H10ClN3O2S — CID 63665817

IUPAC1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)CCl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-10-4-6(2-8-10)3-9-13(11,12)5-7/h2,4,9H,3,5H2,1H3
InChIKeyDTSFDDNMKSLIJS-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.04
Rot. Bonds4

About 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 63665817) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID63665817
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Name1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)CCl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-10-4-6(2-8-10)3-9-13(11,12)5-7/h2,4,9H,3,5H2,1H3
InChIKeyDTSFDDNMKSLIJS-UHFFFAOYSA-N
XLogP0.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241
1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125423661
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (CID 63665817) is 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is Cn1cc(CNS(=O)(=O)CCl)cn1.
What is the InChIKey of 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is DTSFDDNMKSLIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-10-4-6(2-8-10)3-9-13(11,12)5-7/h2,4,9H,3,5H2,1H3.
What are the key properties of 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 223.68 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 63665817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).