N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide

C10H18ClN3O2S — CID 106158843

IUPACN-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H18ClN3O2S/c1-9(8-11)4-3-6-13-17(15,16)10-5-7-12-14(10)2/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyGWZFTTHMTQAQNW-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.35
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide

N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 106158843) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
PubChem CID106158843
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H18ClN3O2S/c1-9(8-11)4-3-6-13-17(15,16)10-5-7-12-14(10)2/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyGWZFTTHMTQAQNW-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158848
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide (CID 106158843) is N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide is CC(CCl)CCCNS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is GWZFTTHMTQAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-9(8-11)4-3-6-13-17(15,16)10-5-7-12-14(10)2/h5,7,9,13H,3-4,6,8H2,1-2H3.
What are the key properties of N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide?
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 106158843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).