N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C18H21N5O3S — CID 30690904

IUPACN-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O3S/c24-17(22-10-12-23(13-11-22)18-19-8-1-9-20-18)14-2-6-16(7-3-14)27(25,26)21-15-4-5-15/h1-3,6-9,15,21H,4-5,10-13H2
InChIKeyFAPLKIPELCJAFF-UHFFFAOYSA-N
MW387.47 g/mol
LogP0.88
Rot. Bonds5

About N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 30690904) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID30690904
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O3S/c24-17(22-10-12-23(13-11-22)18-19-8-1-9-20-18)14-2-6-16(7-3-14)27(25,26)21-15-4-5-15/h1-3,6-9,15,21H,4-5,10-13H2
InChIKeyFAPLKIPELCJAFF-UHFFFAOYSA-N
XLogP0.88
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-cyclopropyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 46628428
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 30690904) is N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is FAPLKIPELCJAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-17(22-10-12-23(13-11-22)18-19-8-1-9-20-18)14-2-6-16(7-3-14)27(25,26)21-15-4-5-15/h1-3,6-9,15,21H,4-5,10-13H2.
What are the key properties of N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 30690904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).