4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide

C9H14N4O3S — CID 61128995

IUPAC4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C9H14N4O3S/c10-17(15,16)13-6-4-12(5-7-13)9(14)8-2-1-3-11-8/h1-3,11H,4-7H2,(H2,10,15,16)
InChIKeyBYYMZZQDTYQWDN-UHFFFAOYSA-N
MW258.30 g/mol
LogP-1.02
Rot. Bonds2

About 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide

4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 61128995) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
PubChem CID61128995
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C9H14N4O3S/c10-17(15,16)13-6-4-12(5-7-13)9(14)8-2-1-3-11-8/h1-3,11H,4-7H2,(H2,10,15,16)
InChIKeyBYYMZZQDTYQWDN-UHFFFAOYSA-N
XLogP-1.02
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805410
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805349
3,3-dimethyl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110803998
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
1H-pyrrol-2-yl-[4-(2-sulfanylethyl)piperazin-1-yl]methanone
CID 115273300
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide (CID 61128995) is 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccc[nH]2)CC1.
What is the InChIKey of 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is BYYMZZQDTYQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-17(15,16)13-6-4-12(5-7-13)9(14)8-2-1-3-11-8/h1-3,11H,4-7H2,(H2,10,15,16).
What are the key properties of 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide?
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61128995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).