N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide

C19H30ClN3O3S — CID 126507962

IUPACN-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCCCC1
InChIInChI=1S/C19H30ClN3O3S/c1-2-3-11-22-19(24)15-12-18(27(21,25)26)16(20)13-17(15)23-14-9-7-5-4-6-8-10-14/h12-14,23H,2-11H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyLWZZWCZCKSLZBX-UHFFFAOYSA-N
MW415.99 g/mol
LogP4.04
Rot. Bonds7

About N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide

N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide (PubChem CID 126507962) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide
PubChem CID126507962
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCCCC1
InChIInChI=1S/C19H30ClN3O3S/c1-2-3-11-22-19(24)15-12-18(27(21,25)26)16(20)13-17(15)23-14-9-7-5-4-6-8-10-14/h12-14,23H,2-11H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyLWZZWCZCKSLZBX-UHFFFAOYSA-N
XLogP4.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide?
The IUPAC name of N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide (CID 126507962) is N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide?
The canonical SMILES for N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCCCC1.
What is the InChIKey of N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide?
The InChIKey is LWZZWCZCKSLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O3S/c1-2-3-11-22-19(24)15-12-18(27(21,25)26)16(20)13-17(15)23-14-9-7-5-4-6-8-10-14/h12-14,23H,2-11H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide?
N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide has a molecular weight of 415.99 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide is sourced from PubChem (CID 126507962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).