N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide

C15H20ClN3O2S — CID 22207324

IUPACN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1
InChIInChI=1S/C15H20ClN3O2S/c1-11-5-6-15(12(2)9-11)22(20,21)17-7-4-8-19-10-14(16)13(3)18-19/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyMHDQHAYMVVRRRE-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 22207324) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
PubChem CID22207324
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1
InChIInChI=1S/C15H20ClN3O2S/c1-11-5-6-15(12(2)9-11)22(20,21)17-7-4-8-19-10-14(16)13(3)18-19/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyMHDQHAYMVVRRRE-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 19581232
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22207325
4-tert-butyl-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207319
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19325839
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22207320
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207611
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide (CID 22207324) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1.
What is the InChIKey of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is MHDQHAYMVVRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-11-5-6-15(12(2)9-11)22(20,21)17-7-4-8-19-10-14(16)13(3)18-19/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide?
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22207324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).