N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide

C15H20ClN3O4S — CID 22207426

IUPACN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2ncc(Cl)c2C)cc1OC
InChIInChI=1S/C15H20ClN3O4S/c1-11-13(16)10-17-19(11)8-4-7-18-24(20,21)12-5-6-14(22-2)15(9-12)23-3/h5-6,9-10,18H,4,7-8H2,1-3H3
InChIKeyHLNKDGXCHVYGNN-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.23
Rot. Bonds8

About N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 22207426) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID22207426
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2ncc(Cl)c2C)cc1OC
InChIInChI=1S/C15H20ClN3O4S/c1-11-13(16)10-17-19(11)8-4-7-18-24(20,21)12-5-6-14(22-2)15(9-12)23-3/h5-6,9-10,18H,4,7-8H2,1-3H3
InChIKeyHLNKDGXCHVYGNN-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207431
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22207441
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide
CID 22207434
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide (CID 22207426) is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCn2ncc(Cl)c2C)cc1OC.
What is the InChIKey of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is HLNKDGXCHVYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c1-11-13(16)10-17-19(11)8-4-7-18-24(20,21)12-5-6-14(22-2)15(9-12)23-3/h5-6,9-10,18H,4,7-8H2,1-3H3.
What are the key properties of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide?
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22207426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).