3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide

C19H30ClN5O2S — CID 78841946

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ncc(Cl)n1C
InChIInChI=1S/C19H30ClN5O2S/c1-6-24(7-2)17-11-10-15(28(26,27)25(8-3)9-4)12-16(17)21-14-19-22-13-18(20)23(19)5/h10-13,21H,6-9,14H2,1-5H3
InChIKeyIAZHLOBZKXBYHO-UHFFFAOYSA-N
MW428.00 g/mol
LogP3.56
Rot. Bonds10

About 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide

3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide (PubChem CID 78841946) has the molecular formula C19H30ClN5O2S and a molecular weight of 428.00 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide
PubChem CID78841946
Molecular FormulaC19H30ClN5O2S
Molecular Weight428.00 g/mol
Exact Mass427.18
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ncc(Cl)n1C
InChIInChI=1S/C19H30ClN5O2S/c1-6-24(7-2)17-11-10-15(28(26,27)25(8-3)9-4)12-16(17)21-14-19-22-13-18(20)23(19)5/h10-13,21H,6-9,14H2,1-5H3
InChIKeyIAZHLOBZKXBYHO-UHFFFAOYSA-N
XLogP3.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
CID 26438932
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
CID 113355959
2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
2-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 43217289
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
4-[(4-chlorophenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 26455517
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
CID 78825596

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide (CID 78841946) is 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ncc(Cl)n1C.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The InChIKey is IAZHLOBZKXBYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O2S/c1-6-24(7-2)17-11-10-15(28(26,27)25(8-3)9-4)12-16(17)21-14-19-22-13-18(20)23(19)5/h10-13,21H,6-9,14H2,1-5H3.
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide has a molecular weight of 428.00 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-4-(diethylamino)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 78841946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).