N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide

C20H19ClN4O2S — CID 22228535

IUPACN-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C20H19ClN4O2S/c21-18-13-23-20-17(18)4-1-5-19(20)24-28(26,27)16-8-6-15(7-9-16)3-2-11-25-12-10-22-14-25/h1,4-10,12-14,23-24H,2-3,11H2
InChIKeyYAYXBENHHCQZRZ-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.45
Rot. Bonds7

About N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide

N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide (PubChem CID 22228535) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
PubChem CID22228535
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C20H19ClN4O2S/c21-18-13-23-20-17(18)4-1-5-19(20)24-28(26,27)16-8-6-15(7-9-16)3-2-11-25-12-10-22-14-25/h1,4-10,12-14,23-24H,2-3,11H2
InChIKeyYAYXBENHHCQZRZ-UHFFFAOYSA-N
XLogP4.45
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
CID 13280079
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 32933110
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide (CID 22228535) is N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(CCCn2ccnc2)cc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is YAYXBENHHCQZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c21-18-13-23-20-17(18)4-1-5-19(20)24-28(26,27)16-8-6-15(7-9-16)3-2-11-25-12-10-22-14-25/h1,4-10,12-14,23-24H,2-3,11H2.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide?
N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 414.92 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 22228535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).