N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide

C21H23ClN2O3S — CID 53105751

IUPACN-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc21
InChIInChI=1S/C21H23ClN2O3S/c1-21(2)13-24(20(25)14-7-8-14)19-10-9-16(11-17(19)21)28(26,27)23-12-15-5-3-4-6-18(15)22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3
InChIKeyBKSOZJCIKZHQPL-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.85
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide

N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105751) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105751
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc21
InChIInChI=1S/C21H23ClN2O3S/c1-21(2)13-24(20(25)14-7-8-14)19-10-9-16(11-17(19)21)28(26,27)23-12-15-5-3-4-6-18(15)22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3
InChIKeyBKSOZJCIKZHQPL-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105815
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827
ethyl 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 53105768
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105751) is N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide is CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is BKSOZJCIKZHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c1-21(2)13-24(20(25)14-7-8-14)19-10-9-16(11-17(19)21)28(26,27)23-12-15-5-3-4-6-18(15)22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 418.95 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).