4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide

C19H21N5O3S — CID 21192867

IUPAC4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
SMILESNC1=NC2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C19H21N5O3S/c20-17-15-3-1-2-4-16(15)22-19(23-17)9-11-24(12-10-19)18(25)13-5-7-14(8-6-13)28(21,26)27/h1-8,22H,9-12H2,(H2,20,23)(H2,21,26,27)
InChIKeyREINVSVZVLMNRB-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.10
Rot. Bonds2

About 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide

4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide (PubChem CID 21192867) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
PubChem CID21192867
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
SMILESNC1=NC2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C19H21N5O3S/c20-17-15-3-1-2-4-16(15)22-19(23-17)9-11-24(12-10-19)18(25)13-5-7-14(8-6-13)28(21,26)27/h1-8,22H,9-12H2,(H2,20,23)(H2,21,26,27)
InChIKeyREINVSVZVLMNRB-UHFFFAOYSA-N
XLogP1.10
TPSA130.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10970331
1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10859364
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 21192859
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
8-(4-fluorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911460
1'-(4-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169377

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide (CID 21192867) is 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide is NC1=NC2(CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)Nc2ccccc21.
What is the InChIKey of 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
The InChIKey is REINVSVZVLMNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-17-15-3-1-2-4-16(15)22-19(23-17)9-11-24(12-10-19)18(25)13-5-7-14(8-6-13)28(21,26)27/h1-8,22H,9-12H2,(H2,20,23)(H2,21,26,27).
What are the key properties of 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide?
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide is sourced from PubChem (CID 21192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).