2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

C19H23Cl3N4O3S — CID 58509135

IUPAC2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnc2Cl)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H23Cl3N4O3S/c1-13-5-9-25(10-6-13)18(27)16(7-11-26-12-8-23-19(26)22)24-30(28,29)17-14(20)3-2-4-15(17)21/h2-4,8,12-13,16,24H,5-7,9-11H2,1H3
InChIKeyZGMILLVYJNKFMB-UHFFFAOYSA-N
MW493.84 g/mol
LogP3.84
Rot. Bonds7

About 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 58509135) has the molecular formula C19H23Cl3N4O3S and a molecular weight of 493.84 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID58509135
Molecular FormulaC19H23Cl3N4O3S
Molecular Weight493.84 g/mol
Exact Mass492.06
IUPAC Name2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnc2Cl)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H23Cl3N4O3S/c1-13-5-9-25(10-6-13)18(27)16(7-11-26-12-8-23-19(26)22)24-30(28,29)17-14(20)3-2-4-15(17)21/h2-4,8,12-13,16,24H,5-7,9-11H2,1H3
InChIKeyZGMILLVYJNKFMB-UHFFFAOYSA-N
XLogP3.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-(2-chloroimidazol-1-yl)-1-oxobutan-2-yl]-2,4,6-trichlorobenzenesulfonamide
CID 58509140
4-amino-3,5-dichloro-N-[4-[2-(hydroxyamino)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 89142938
2-[(4-amino-3,5-dichlorophenyl)sulfanylamino]-4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 143877504
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509350
4-amino-3,5-dichloro-N-[(2S)-1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 134138379
N-[1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-(2-chloroimidazol-1-yl)-1-oxobutan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 58509183
N-[1-[(8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-(2-chloroimidazol-1-yl)-1-oxobutan-2-yl]-4-amino-3,5-dichlorobenzenesulfonamide
CID 89143070
2,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509409
N-[4-(2-chloroimidazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxobutan-2-yl]naphthalene-1-sulfonamide;methane
CID 69044861
2-chloro-4-cyano-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509369
3-chloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509126
4-amino-N-[4-(5-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3,5-dichlorobenzenesulfonamide
CID 89143030

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (CID 58509135) is 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2ccnc2Cl)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is ZGMILLVYJNKFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl3N4O3S/c1-13-5-9-25(10-6-13)18(27)16(7-11-26-12-8-23-19(26)22)24-30(28,29)17-14(20)3-2-4-15(17)21/h2-4,8,12-13,16,24H,5-7,9-11H2,1H3.
What are the key properties of 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 493.84 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58509135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).