N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide

C10H16ClN3O2S — CID 102694040

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)c1ccn[nH]1
InChIInChI=1S/C10H16ClN3O2S/c11-7-10(4-1-2-5-10)8-13-17(15,16)9-3-6-12-14-9/h3,6,13H,1-2,4-5,7-8H2,(H,12,14)
InChIKeyQVUNRLPSGXFBOM-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.49
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102694040) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102694040
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)c1ccn[nH]1
InChIInChI=1S/C10H16ClN3O2S/c11-7-10(4-1-2-5-10)8-13-17(15,16)9-3-6-12-14-9/h3,6,13H,1-2,4-5,7-8H2,(H,12,14)
InChIKeyQVUNRLPSGXFBOM-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.49
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-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694095
2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 102690759
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693115
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 115365134
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
CID 103970067
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692871
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
2-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluorobenzenesulfonamide
CID 105400715

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide (CID 102694040) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1(CCl)CCCC1)c1ccn[nH]1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is QVUNRLPSGXFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c11-7-10(4-1-2-5-10)8-13-17(15,16)9-3-6-12-14-9/h3,6,13H,1-2,4-5,7-8H2,(H,12,14).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).