7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide

C24H34ClN3O3S — CID 10073867

IUPAC7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
SMILESCc1c(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)c2cccc(Cl)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C24H34ClN3O3S/c1-15-19(21(29)27-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)28(15)13-7-12-26-32(5,30)31/h6,8-9,16,22,26H,7,10-14H2,1-5H3,(H,27,29)/t16?,22?,24-/m0/s1
InChIKeyXKAZULSGMADKFC-KQHMIALTSA-N
MW480.07 g/mol
LogP4.49
Rot. Bonds7

About 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide

7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide (PubChem CID 10073867) has the molecular formula C24H34ClN3O3S and a molecular weight of 480.07 g/mol. Its IUPAC name is 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
PubChem CID10073867
Molecular FormulaC24H34ClN3O3S
Molecular Weight480.07 g/mol
Exact Mass479.20
IUPAC Name7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
SMILESCc1c(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)c2cccc(Cl)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C24H34ClN3O3S/c1-15-19(21(29)27-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)28(15)13-7-12-26-32(5,30)31/h6,8-9,16,22,26H,7,10-14H2,1-5H3,(H,27,29)/t16?,22?,24-/m0/s1
InChIKeyXKAZULSGMADKFC-KQHMIALTSA-N
XLogP4.49
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.07
LogP ≤ 54.49
H-Bond Donors ≤ 52
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 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The IUPAC name of 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide (CID 10073867) is 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide.
What is the SMILES notation for 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The canonical SMILES for 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide is Cc1c(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)c2cccc(Cl)c2n1CCCNS(C)(=O)=O.
What is the InChIKey of 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The InChIKey is XKAZULSGMADKFC-KQHMIALTSA-N. The full InChI is InChI=1S/C24H34ClN3O3S/c1-15-19(21(29)27-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)28(15)13-7-12-26-32(5,30)31/h6,8-9,16,22,26H,7,10-14H2,1-5H3,(H,27,29)/t16?,22?,24-/m0/s1.
What are the key properties of 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide has a molecular weight of 480.07 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide is sourced from PubChem (CID 10073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).