N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide

C9H14ClN3O2S — CID 102694095

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1ccn[nH]1
InChIInChI=1S/C9H14ClN3O2S/c10-5-4-9(2-3-9)7-12-16(14,15)8-1-6-11-13-8/h1,6,12H,2-5,7H2,(H,11,13)
InChIKeyXYQMNTFJALADBP-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.10
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102694095) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102694095
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1(CCCl)CC1)c1ccn[nH]1
InChIInChI=1S/C9H14ClN3O2S/c10-5-4-9(2-3-9)7-12-16(14,15)8-1-6-11-13-8/h1,6,12H,2-5,7H2,(H,11,13)
InChIKeyXYQMNTFJALADBP-UHFFFAOYSA-N
XLogP1.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694040
2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 102690759
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693115
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
CID 114758572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide (CID 102694095) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1(CCCl)CC1)c1ccn[nH]1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is XYQMNTFJALADBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c10-5-4-9(2-3-9)7-12-16(14,15)8-1-6-11-13-8/h1,6,12H,2-5,7H2,(H,11,13).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).