4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C17H24N4O3S — CID 110805060

IUPAC4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2n1C
InChIInChI=1S/C17H24N4O3S/c1-13-16(14-7-5-6-8-15(14)19(13)4)17(22)20-9-11-21(12-10-20)25(23,24)18(2)3/h5-8H,9-12H2,1-4H3
InChIKeyNEDPDEYPRKECKZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.05
Rot. Bonds3

About 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 110805060) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID110805060
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2n1C
InChIInChI=1S/C17H24N4O3S/c1-13-16(14-7-5-6-8-15(14)19(13)4)17(22)20-9-11-21(12-10-20)25(23,24)18(2)3/h5-8H,9-12H2,1-4H3
InChIKeyNEDPDEYPRKECKZ-UHFFFAOYSA-N
XLogP1.05
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124996348
N,N-dimethyl-4-(2-methylbenzoyl)-1,4-diazepane-1-sulfonamide
CID 110798257
4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 110268334
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 110805060) is 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is Cc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is NEDPDEYPRKECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-16(14-7-5-6-8-15(14)19(13)4)17(22)20-9-11-21(12-10-20)25(23,24)18(2)3/h5-8H,9-12H2,1-4H3.
What are the key properties of 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110805060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).