N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide

C19H19ClN4O2S — CID 91429667

IUPACN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc3c(c2)CCN3)[nH]1
InChIInChI=1S/C19H19ClN4O2S/c1-13-22-11-19(23-13)27(25,26)24(12-14-2-4-16(20)5-3-14)17-6-7-18-15(10-17)8-9-21-18/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyXGOWCTUVZRUZKC-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.74
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide

N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 91429667) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID91429667
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc3c(c2)CCN3)[nH]1
InChIInChI=1S/C19H19ClN4O2S/c1-13-22-11-19(23-13)27(25,26)24(12-14-2-4-16(20)5-3-14)17-6-7-18-15(10-17)8-9-21-18/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyXGOWCTUVZRUZKC-UHFFFAOYSA-N
XLogP3.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 91429667) is N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc3c(c2)CCN3)[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is XGOWCTUVZRUZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-13-22-11-19(23-13)27(25,26)24(12-14-2-4-16(20)5-3-14)17-6-7-18-15(10-17)8-9-21-18/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 402.91 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 91429667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).