N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C17H22N2O3S — CID 3370801

IUPACN,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-11-19(12-4-2)23(21,22)16-9-7-15(8-10-16)17(20)18-13-5-6-14-18/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyFMFDKCBBKYNMPR-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.29
Rot. Bonds7

About N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 3370801) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID3370801
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-11-19(12-4-2)23(21,22)16-9-7-15(8-10-16)17(20)18-13-5-6-14-18/h3-4,7-10H,1-2,5-6,11-14H2
InChIKeyFMFDKCBBKYNMPR-UHFFFAOYSA-N
XLogP2.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
4-chloro-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043116
4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043094
4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 41116102
4-[bis(prop-2-enyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23878249
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 113072709
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 3370801) is N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FMFDKCBBKYNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-11-19(12-4-2)23(21,22)16-9-7-15(8-10-16)17(20)18-13-5-6-14-18/h3-4,7-10H,1-2,5-6,11-14H2.
What are the key properties of N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 3370801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).