5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide

C10H19ClN4O3S — CID 125447798

IUPAC5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](O)CN(C)C
InChIInChI=1S/C10H19ClN4O3S/c1-7-9(10(11)15(4)13-7)19(17,18)12-5-8(16)6-14(2)3/h8,12,16H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYBSLPDRFEJTGEB-MRVPVSSYSA-N
MW310.81 g/mol
LogP-0.42
Rot. Bonds6

About 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 125447798) has the molecular formula C10H19ClN4O3S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID125447798
Molecular FormulaC10H19ClN4O3S
Molecular Weight310.81 g/mol
Exact Mass310.09
IUPAC Name5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](O)CN(C)C
InChIInChI=1S/C10H19ClN4O3S/c1-7-9(10(11)15(4)13-7)19(17,18)12-5-8(16)6-14(2)3/h8,12,16H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYBSLPDRFEJTGEB-MRVPVSSYSA-N
XLogP-0.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
5-chloro-1,3-dimethylpyrazole-4-sulfonic acid;hydrochloride
CID 174268222
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
CID 126827647
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
CID 122570703
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 125447798) is 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](O)CN(C)C.
What is the InChIKey of 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is YBSLPDRFEJTGEB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19ClN4O3S/c1-7-9(10(11)15(4)13-7)19(17,18)12-5-8(16)6-14(2)3/h8,12,16H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 125447798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).