5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide

C15H28ClN5O2S — CID 60531245

IUPAC5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H28ClN5O2S/c1-11(2)13(21-8-6-19(4)7-9-21)10-17-24(22,23)14-12(3)18-20(5)15(14)16/h11,13,17H,6-10H2,1-5H3
InChIKeyPPRAQEVRBVCBKG-UHFFFAOYSA-N
MW377.94 g/mol
LogP0.93
Rot. Bonds6

About 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide (PubChem CID 60531245) has the molecular formula C15H28ClN5O2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
PubChem CID60531245
Molecular FormulaC15H28ClN5O2S
Molecular Weight377.94 g/mol
Exact Mass377.17
IUPAC Name5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H28ClN5O2S/c1-11(2)13(21-8-6-19(4)7-9-21)10-17-24(22,23)14-12(3)18-20(5)15(14)16/h11,13,17H,6-10H2,1-5H3
InChIKeyPPRAQEVRBVCBKG-UHFFFAOYSA-N
XLogP0.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 125447798
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
CID 102692383
2-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]ethanesulfonamide
CID 107651672
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide
CID 95215739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide (CID 60531245) is 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
The InChIKey is PPRAQEVRBVCBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5O2S/c1-11(2)13(21-8-6-19(4)7-9-21)10-17-24(22,23)14-12(3)18-20(5)15(14)16/h11,13,17H,6-10H2,1-5H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide has a molecular weight of 377.94 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 60531245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).