4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide

C20H22N4O3S — CID 50744365

IUPAC4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H22N4O3S/c1-22-10-9-16-15-18(7-8-19(16)22)28(26,27)24-13-11-23(12-14-24)20(25)21-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,25)
InChIKeyWJFKKTANKSQEML-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.72
Rot. Bonds3

About 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide

4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide (PubChem CID 50744365) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
PubChem CID50744365
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H22N4O3S/c1-22-10-9-16-15-18(7-8-19(16)22)28(26,27)24-13-11-23(12-14-24)20(25)21-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,25)
InChIKeyWJFKKTANKSQEML-UHFFFAOYSA-N
XLogP2.72
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide
CID 50799026
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11703005
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 20966680
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoate
CID 50799015
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide (CID 50744365) is 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide is Cn1ccc2cc(S(=O)(=O)N3CCN(C(=O)Nc4ccccc4)CC3)ccc21.
What is the InChIKey of 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is WJFKKTANKSQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-22-10-9-16-15-18(7-8-19(16)22)28(26,27)24-13-11-23(12-14-24)20(25)21-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,25).
What are the key properties of 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide?
4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 50744365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).